2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-butanamide CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-benzyl-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]butyramide Formula: C22H31N3OS MolecularWeight: 385.56604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC(=C(N2C3CCCCC3)C)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC(=C(N2C3CCCCC3)C)C

InChI

InChI=1S/C22H31N3OS/c1-4-20(21(26)23-15-18-11-7-5-8-12-18)27-22-24-16(2)17(3)25(22)19-13-9-6-10-14-19/h5,7-8,11-12,19-20H,4,6,9-10,13-15H2,1-3H3,(H,23,26)