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

Systemtic Name: (phenylmethyl) N-[(4R)-7-oxidanylidene-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-4-yl]carbamate Openeye Name: benzyl N-[(4R)-7-oxo-1-[(3S)-3-phenyl-3-phenylsulfanyl-propyl]azepan-4-yl]carbamate CAS Name: N-[(4R)-7-oxo-1-[(3S)-3-phenyl-3-(phenylthio)propyl]-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4R)-7-oxo-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-4-yl]carbamate Traditional Name: N-[(4R)-7-keto-1-[(3S)-3-phenyl-3-(phenylthio)propyl]azepan-4-yl]carbamic acid benzyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)CCC(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1NC(=O)OCC2=CC=CC=C2)CC[C@@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O3S/c32-28-17-16-25(30-29(33)34-22-23-10-4-1-5-11-23)18-20-31(28)21-19-27(24-12-6-2-7-13-24)35-26-14-8-3-9-15-26/h1-15,25,27H,16-22H2,(H,30,33)/t25-,27+/m1/s1