(phenylmethyl) N-[(4S)-1-[2-(4-bromophenyl)sulfanylethyl]-7-oxidanylidene-azepan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S)-1-[2-(4-bromophenyl)sulfanylethyl]-7-oxidanylidene-azepan-4-yl]carbamate Openeye Name: benzyl N-[(4S)-1-[2-(4-bromophenyl)sulfanylethyl]-7-oxo-azepan-4-yl]carbamate CAS Name: N-[(4S)-1-[2-[(4-bromophenyl)thio]ethyl]-7-oxo-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S)-1-[2-(4-bromophenyl)sulfanylethyl]-7-oxoazepan-4-yl]carbamate Traditional Name: N-[(4S)-1-[2-[(4-bromophenyl)thio]ethyl]-7-keto-azepan-4-yl]carbamic acid benzyl ester Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)CCSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC(=O)N(CC[C@H]1NC(=O)OCC2=CC=CC=C2)CCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O3S/c23-18-6-9-20(10-7-18)29-15-14-25-13-12-19(8-11-21(25)26)24-22(27)28-16-17-4-2-1-3-5-17/h1-7,9-10,19H,8,11-16H2,(H,24,27)/t19-/m0/s1