
 2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}-N-(4-methylphenyl)acetamide

 53 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
2-{1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl}-N-(4-methylphenyl)acetamide

>  <PubChem CID>
2957105

>  <Formula>
C21H24N4O3S

>  <Molecular Weight>
412.508000

>  <IUPAC Name>
2-[1-[(4-methoxyphenyl)carbamothioyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C21H24N4O3S/c1-14-3-5-15(6-4-14)23-19(26)13-18-20(27)22-11-12-25(18)21(29)24-16-7-9-17(28-2)10-8-16/h3-10,18H,11-13H2,1-2H3,(H,22,27)(H,23,26)(H,24,29)

>  <InChI Key>
AAMWVURKZMHDHP-UHFFFAOYSA-N

