N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-methyl-2-oxo-benzimidazol-1-yl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(3-methyl-2-oxo-1-benzimidazolyl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(2-keto-3-methyl-benzimidazol-1-yl)propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4O2S/c1-24-18-8-4-5-9-19(18)25(21(24)27)12-10-20(26)23-11-13-28-15-17-7-3-2-6-16(17)14-22/h2-9H,10-13,15H2,1H3,(H,23,26)