(phenylmethyl) N-[1-[2-(3,4-dimethylphenyl)sulfanylethylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[2-(3,4-dimethylphenyl)sulfanylethylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[2-(3,4-dimethylphenyl)sulfanylethylamino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-[(3,4-dimethylphenyl)thio]ethylamino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[2-(3,4-dimethylphenyl)sulfanylethylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[2-[(3,4-dimethylphenyl)thio]ethylamino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C(C)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C(C)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O3S/c1-15-9-10-19(13-16(15)2)27-12-11-22-20(24)17(3)23-21(25)26-14-18-7-5-4-6-8-18/h4-10,13,17H,11-12,14H2,1-3H3,(H,22,24)(H,23,25)