4-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[1-[4-(1-imidazolyl)phenyl]ethyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-[1-(4-imidazol-1-ylphenyl)ethyl]butyramide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H23N5OS/c1-16(17-8-10-18(11-9-17)27-13-12-23-15-27)24-21(28)7-4-14-29-22-25-19-5-2-3-6-20(19)26-22/h2-3,5-6,8-13,15-16H,4,7,14H2,1H3,(H,24,28)(H,25,26)