2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-[(1-methyl-2-benzimidazolyl)methyl]benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C3=CC=CC=C3SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H21N5O2S/c1-30-21-11-4-3-10-20(21)29-23(30)15-27-25(32)19-9-2-5-12-22(19)33-16-24(31)28-18-8-6-7-17(13-18)14-26/h2-13H,15-16H2,1H3,(H,27,32)(H,28,31)