(2S)-N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-1-[2-oxo-2-(1-piperidyl)ethyl]imidazol-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1-[2-oxo-2-(1-piperidinyl)ethyl]-2-imidazolyl]thio]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[5-(4-fluorophenyl)-1-(2-oxo-2-piperidin-1-ylethyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-[[5-(4-fluorophenyl)-1-(2-keto-2-piperidino-ethyl)imidazol-2-yl]thio]propionamide Formula: C27H31FN4O2S MolecularWeight: 494.624043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NC=C(N2CC(=O)N3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)SC2=NC=C(N2CC(=O)N3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O2S/c1-18-8-7-9-19(2)25(18)30-26(34)20(3)35-27-29-16-23(21-10-12-22(28)13-11-21)32(27)17-24(33)31-14-5-4-6-15-31/h7-13,16,20H,4-6,14-15,17H2,1-3H3,(H,30,34)/t20-/m0/s1