(3S)-1-(4-fluorophenyl)carbonyl-3-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-azepan-2-one

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-3-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-azepan-2-one Openeye Name: (3S)-1-(4-fluorobenzoyl)-3-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-3-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: (3S)-1-(4-fluorobenzoyl)-3-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylazepan-2-one Traditional Name: (3S)-1-(4-fluorobenzoyl)-3-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]azepan-2-one Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2S[C@H]3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O3S/c1-30-19-11-9-18(10-12-19)26-15-13-25-23(26)31-20-4-2-3-14-27(22(20)29)21(28)16-5-7-17(24)8-6-16/h5-13,15,20H,2-4,14H2,1H3/t20-/m0/s1