(2S)-2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)propanamide

Systemtic Name: (2S)-2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Openeye Name: (2S)-2-[1-[2-(cyclohexylamino)-2-oxo-ethyl]-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(o-tolyl)propanamide CAS Name: (2S)-2-[[1-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-fluorophenyl)-2-imidazolyl]thio]-N-(2-methylphenyl)propanamide IUPAC Name: (2S)-2-[1-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)propanamide Traditional Name: (2S)-2-[[1-[2-(cyclohexylamino)-2-keto-ethyl]-5-(4-fluorophenyl)imidazol-2-yl]thio]-N-(o-tolyl)propionamide Formula: C27H31FN4O2S MolecularWeight: 494.624043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NC=C(N2CC(=O)NC3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=NC=C(N2CC(=O)NC3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O2S/c1-18-8-6-7-11-23(18)31-26(34)19(2)35-27-29-16-24(20-12-14-21(28)15-13-20)32(27)17-25(33)30-22-9-4-3-5-10-22/h6-8,11-16,19,22H,3-5,9-10,17H2,1-2H3,(H,30,33)(H,31,34)/t19-/m0/s1