(3S)-1-(4-chlorophenyl)carbonyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(4-methylthiazol-2-yl)sulfanyl-azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-[(4-methyl-2-thiazolyl)thio]-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-[(4-methylthiazol-2-yl)thio]azepan-2-one Formula: C17H17ClN2O2S2 MolecularWeight: 380.91208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CSC(=N1)S[C@H]2CCCCN(C2=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17ClN2O2S2/c1-11-10-23-17(19-11)24-14-4-2-3-9-20(16(14)22)15(21)12-5-7-13(18)8-6-12/h5-8,10,14H,2-4,9H2,1H3/t14-/m0/s1