(phenylmethyl) N-[(2S)-3-methyl-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[(4-methylsulfanylphenyl)amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[(4-methylsulfanylphenyl)carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-[4-(methylthio)anilino]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-(4-methylsulfanylanilino)-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[[4-(methylthio)phenyl]carbamoyl]propyl]carbamic acid benzyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)SC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)SC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O3S/c1-14(2)18(19(23)21-16-9-11-17(26-3)12-10-16)22-20(24)25-13-15-7-5-4-6-8-15/h4-12,14,18H,13H2,1-3H3,(H,21,23)(H,22,24)/t18-/m0/s1