(phenylmethyl) 2-[(4-methylphenyl)carbonylcarbamothioylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-methylphenyl)carbonylcarbamothioylamino]ethanoate Openeye Name: benzyl 2-[(4-methylbenzoyl)carbamothioylamino]acetate CAS Name: 2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methylbenzoyl)carbamothioylamino]acetate Traditional Name: 2-(p-toluoylthiocarbamoylamino)acetic acid benzyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O3S/c1-13-7-9-15(10-8-13)17(22)20-18(24)19-11-16(21)23-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,19,20,22,24)