2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-homoveratryl-butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H25N3O3S/c1-4-19(28-21-23-15-7-5-6-8-16(15)24-21)20(25)22-12-11-14-9-10-17(26-2)18(13-14)27-3/h5-10,13,19H,4,11-12H2,1-3H3,(H,22,25)(H,23,24)