(phenylmethyl) N-[(4R)-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]-7-oxidanylidene-azepan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4R)-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]-7-oxidanylidene-azepan-4-yl]carbamate Openeye Name: benzyl N-[(4R)-1-[(2R)-2-methyl-3-phenylsulfanyl-propyl]-7-oxo-azepan-4-yl]carbamate CAS Name: N-[(4R)-1-[(2R)-2-methyl-3-(phenylthio)propyl]-7-oxo-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4R)-1-[(2R)-2-methyl-3-phenylsulfanylpropyl]-7-oxoazepan-4-yl]carbamate Traditional Name: N-[(4R)-7-keto-1-[(2R)-2-methyl-3-(phenylthio)propyl]azepan-4-yl]carbamic acid benzyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(CCC1=O)NC(=O)OCC2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

C[C@H](CN1CC[C@@H](CCC1=O)NC(=O)OCC2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O3S/c1-19(18-30-22-10-6-3-7-11-22)16-26-15-14-21(12-13-23(26)27)25-24(28)29-17-20-8-4-2-5-9-20/h2-11,19,21H,12-18H2,1H3,(H,25,28)/t19-,21-/m1/s1