(3S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: (3S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: (3S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one CAS Name: (3S)-3-[(1-ethyl-2-benzimidazolyl)thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: (3S)-3-(1-ethylbenzimidazol-2-yl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: (3S)-3-[(1-ethylbenzimidazol-2-yl)thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1S[C@H]3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2S/c1-2-25-18-8-4-3-7-17(18)24-22(25)29-19-9-5-6-14-26(21(19)28)20(27)15-10-12-16(23)13-11-15/h3-4,7-8,10-13,19H,2,5-6,9,14H2,1H3/t19-/m0/s1