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

Systemtic Name: (phenylmethyl) N-[(2S,3S)-3-methyl-1-[(3-methylsulfanylphenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-methyl-1-[(3-methylsulfanylphenyl)carbamoyl]butyl]carbamate CAS Name: N-[(2S,3S)-3-methyl-1-[3-(methylthio)anilino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-3-methyl-1-(3-methylsulfanylanilino)-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-2-methyl-1-[[3-(methylthio)phenyl]carbamoyl]butyl]carbamic acid benzyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-4-15(2)19(20(24)22-17-11-8-12-18(13-17)27-3)23-21(25)26-14-16-9-6-5-7-10-16/h5-13,15,19H,4,14H2,1-3H3,(H,22,24)(H,23,25)/t15-,19-/m0/s1