tert-butyl N-[1-[3-methylsulfanylpropyl(3-phenylpropyl)amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-methylsulfanylpropyl(3-phenylpropyl)amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-2-[3-methylsulfanylpropyl(3-phenylpropyl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[3-(methylthio)propyl-(3-phenylpropyl)amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-methylsulfanylpropyl(3-phenylpropyl)amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-keto-1-methyl-2-[3-(methylthio)propyl-(3-phenylpropyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCCC1=CC=CC=C1)CCCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)N(CCCC1=CC=CC=C1)CCCSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N2O3S/c1-17(22-20(25)26-21(2,3)4)19(24)23(15-10-16-27-5)14-9-13-18-11-7-6-8-12-18/h6-8,11-12,17H,9-10,13-16H2,1-5H3,(H,22,25)