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

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[2-(3,4-dihydroxyphenyl)ethyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-[2-(3,4-dihydroxyphenyl)ethyl]butyramide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)NCCC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)NCCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H21N3O3S/c23-16-8-7-13(12-17(16)24)9-10-20-18(25)6-3-11-26-19-21-14-4-1-2-5-15(14)22-19/h1-2,4-5,7-8,12,23-24H,3,6,9-11H2,(H,20,25)(H,21,22)