butyl 4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-2-3-12-26-19(25)15-6-10-17(11-7-15)22-20(27)23-18(24)13-14-4-8-16(21)9-5-14/h4-11H,2-3,12-13H2,1H3,(H2,22,23,24,27)