2-cyano-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 2-cyano-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-cyano-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanamide CAS Name: 2-cyano-4-[(6-methoxy-1H-benzimidazol-2-yl)thio]-3-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-cyano-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanamide Traditional Name: N-benzyl-2-cyano-3-keto-4-[(6-methoxy-1H-benzimidazol-2-yl)thio]butyramide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)C(C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)C(C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O3S/c1-27-14-7-8-16-17(9-14)24-20(23-16)28-12-18(25)15(10-21)19(26)22-11-13-5-3-2-4-6-13/h2-9,15H,11-12H2,1H3,(H,22,26)(H,23,24)