(phenylmethyl) N-[(2S)-1-[(4-cyanophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(4-cyanophenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(4-cyanophenyl)carbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-(4-cyanoanilino)-4-(methylthio)-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-cyanoanilino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(4-cyanophenyl)carbamoyl]-3-(methylthio)propyl]carbamic acid benzyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O3S/c1-27-12-11-18(19(24)22-17-9-7-15(13-21)8-10-17)23-20(25)26-14-16-5-3-2-4-6-16/h2-10,18H,11-12,14H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1