(3S)-1-(4-fluorophenyl)carbonyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]azepan-2-one

Systemtic Name: (3S)-1-(4-fluorophenyl)carbonyl-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-1-(4-fluorobenzoyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]azepan-2-one CAS Name: (3S)-1-[(4-fluorophenyl)-oxomethyl]-3-[(6-methyl-1H-benzimidazol-2-yl)thio]-2-azepanone IUPAC Name: (3S)-1-(4-fluorobenzoyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-1-(4-fluorobenzoyl)-3-[(6-methyl-1H-benzimidazol-2-yl)thio]azepan-2-one Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)S[C@H]3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O2S/c1-13-5-10-16-17(12-13)24-21(23-16)28-18-4-2-3-11-25(20(18)27)19(26)14-6-8-15(22)9-7-14/h5-10,12,18H,2-4,11H2,1H3,(H,23,24)/t18-/m0/s1