PDB CCD ID: | EMD |
Number of entries in BioLiP: | 1 |
Chemical formula: | C22 H23 N3 O4 S |
InChI: | InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1 |
InChIKey: | IZLRMTJLQCLMKF-CYBMUJFWSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CC1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC | CACTVS 3.341 | COc1ccc(cc1OC)C(=O)N2CCCc3cc(ccc23)C4=NNC(=O)S[CH]4C | CACTVS 3.341 | COc1ccc(cc1OC)C(=O)N2CCCc3cc(ccc23)C4=NNC(=O)S[C@@H]4C | ACDLabs 10.04 | O=C1SC(C(=NN1)c2cc4c(cc2)N(C(=O)c3ccc(OC)c(OC)c3)CCC4)C | OpenEye OEToolkits 1.5.0 | C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC |
|
Name: | 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE |
DrugBank: | DB03944 |