(phenylmethyl) N-[7-oxidanylidene-1-(2-phenylsulfanylethyl)azepan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[7-oxidanylidene-1-(2-phenylsulfanylethyl)azepan-4-yl]carbamate Openeye Name: benzyl N-[7-oxo-1-(2-phenylsulfanylethyl)azepan-4-yl]carbamate CAS Name: N-[7-oxo-1-[2-(phenylthio)ethyl]-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[7-oxo-1-(2-phenylsulfanylethyl)azepan-4-yl]carbamate Traditional Name: N-[7-keto-1-[2-(phenylthio)ethyl]azepan-4-yl]carbamic acid benzyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c25-21-12-11-19(23-22(26)27-17-18-7-3-1-4-8-18)13-14-24(21)15-16-28-20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H,23,26)