azepan-1-yl-[1-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]-4-piperidyl]methanone Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H30N4O2S/c1-30-23-24-17-20(27(23)19-9-5-4-6-10-19)22(29)26-15-11-18(12-16-26)21(28)25-13-7-2-3-8-14-25/h4-6,9-10,17-18H,2-3,7-8,11-16H2,1H3