2-[5-(4-chlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[5-(4-chlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[5-(4-chlorophenyl)-1-isobutyl-imidazol-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-(4-chlorophenyl)-1-(2-methylpropyl)-2-imidazolyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[5-(4-chlorophenyl)-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-(4-chlorophenyl)-1-isobutyl-imidazol-2-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C21H28ClN3OS MolecularWeight: 405.98452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC=C(N2CC(C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC=C(N2CC(C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN3OS/c1-15(2)13-25-19(17-4-6-18(22)7-5-17)12-23-21(25)27-14-20(26)24-10-8-16(3)9-11-24/h4-7,12,15-16H,8-11,13-14H2,1-3H3