4-(1H-benzimidazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]butanamide

Systemtic Name: 4-(1H-benzimidazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]butanamide Openeye Name: 4-(1H-benzimidazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]butanamide CAS Name: 4-(1H-benzimidazol-2-yl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]butanamide Traditional Name: 4-(1H-benzimidazol-2-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]butyramide Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCCC2=NC3=CC=CC=C3N2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCCC2=NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C21H22N4OS/c22-14-16-6-1-2-7-17(16)15-27-13-12-23-21(26)11-5-10-20-24-18-8-3-4-9-19(18)25-20/h1-4,6-9H,5,10-13,15H2,(H,23,26)(H,24,25)