PDB CCD ID: | 0BS |
Number of entries in BioLiP: | 1 |
Chemical formula: | C21 H19 N3 O3 S |
InChI: | InChI=1S/C21H19N3O3S/c22-21(23)18-10-15(14-4-2-1-3-5-14)19(28-18)11-24-20(25)9-13-6-7-16-17(8-13)27-12-26-16/h1-8,10H,9,11-12H2,(H3,22,23)(H,24,25) |
InChIKey: | SEHSYDKIRJLARO-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | [H]/N=C(/c1cc(c(s1)CNC(=O)Cc2ccc3c(c2)OCO3)c4ccccc4)\N | CACTVS 3.385 | NC(=N)c1sc(CNC(=O)Cc2ccc3OCOc3c2)c(c1)c4ccccc4 | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)c2cc(sc2CNC(=O)Cc3ccc4c(c3)OCO4)C(=N)N |
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Name: | 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide |