2-[2-[(3S)-1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanamide

Systemtic Name: 2-[2-[(3S)-1-(4-chlorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanamide Openeye Name: 2-[2-[(3S)-1-(4-chlorobenzoyl)-2-oxo-azepan-3-yl]sulfanyl-4-methyl-thiazol-5-yl]acetamide CAS Name: 2-[2-[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-2-oxo-3-azepanyl]thio]-4-methyl-5-thiazolyl]acetamide IUPAC Name: 2-[2-[(3S)-1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide Traditional Name: 2-[2-[[(3S)-1-(4-chlorobenzoyl)-2-keto-azepan-3-yl]thio]-4-methyl-thiazol-5-yl]acetamide Formula: C19H20ClN3O3S2 MolecularWeight: 437.9634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3S2/c1-11-15(10-16(21)24)28-19(22-11)27-14-4-2-3-9-23(18(14)26)17(25)12-5-7-13(20)8-6-12/h5-8,14H,2-4,9-10H2,1H3,(H2,21,24)/t14-/m0/s1