3-phenylbutyl N-[1-(naphthalen-2-ylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: 3-phenylbutyl N-[1-(naphthalen-2-ylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: 3-phenylbutyl N-[1-(benzylsulfanylmethyl)-2-(2-naphthylamino)-2-oxo-ethyl]carbamate CAS Name: N-[1-(2-naphthalenylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]carbamic acid 3-phenylbutyl ester IUPAC Name: 3-phenylbutyl N-[3-benzylsulfanyl-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(benzylthio)methyl]-2-keto-2-(2-naphthylamino)ethyl]carbamic acid 3-phenylbutyl ester Formula: C31H32N2O3S MolecularWeight: 512.66238

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

CC(CCOC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C31H32N2O3S/c1-23(25-12-6-3-7-13-25)18-19-36-31(35)33-29(22-37-21-24-10-4-2-5-11-24)30(34)32-28-17-16-26-14-8-9-15-27(26)20-28/h2-17,20,23,29H,18-19,21-22H2,1H3,(H,32,34)(H,33,35)