N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]acetamide CAS Name: N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]-N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-26-13-7-10-18(26)14-23-25-21(28)16-29-22-24-19-11-5-6-12-20(19)27(22)15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,25,28)/b23-14+