3-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]propanamide CAS Name: 3-(1H-benzimidazol-2-ylthio)-N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-(1H-benzimidazol-2-ylthio)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCSC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCSC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H20N4O3S2/c1-27-17-8-7-13(11-18(17)28-2)16-12-30-21(24-16)25-19(26)9-10-29-20-22-14-5-3-4-6-15(14)23-20/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)(H,24,25,26)