N-[3-(benzimidazol-1-yl)propyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-2-[(4-cyanophenyl)methylthio]benzamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(4-cyanobenzyl)thio]benzamide Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCN2C=NC3=CC=CC=C32)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCN2C=NC3=CC=CC=C32)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N4OS/c26-16-19-10-12-20(13-11-19)17-31-24-9-4-1-6-21(24)25(30)27-14-5-15-29-18-28-22-7-2-3-8-23(22)29/h1-4,6-13,18H,5,14-15,17H2,(H,27,30)