propyl 4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(o-tolyl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(o-tolyl)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C20H22N2O3S/c1-3-12-25-19(24)15-8-10-17(11-9-15)21-20(26)22-18(23)13-16-7-5-4-6-14(16)2/h4-11H,3,12-13H2,1-2H3,(H2,21,22,23,26)