1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

Systemtic Name: 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide Openeye Name: 1-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexanecarboxamide CAS Name: 1-[[2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]-methylamino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-1-[[2-(2-imidazolin-2-ylthio)acetyl]-methyl-amino]cyclohexanecarboxamide Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(C)C(=O)CSC3=NCCN3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(C)C(=O)CSC3=NCCN3

InChI

InChI=1S/C21H30N4O2S/c1-15-8-7-9-16(2)18(15)24-19(27)21(10-5-4-6-11-21)25(3)17(26)14-28-20-22-12-13-23-20/h7-9H,4-6,10-14H2,1-3H3,(H,22,23)(H,24,27)