butyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate Openeye Name: butyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chlorophenyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O2S/c1-2-3-12-23-17(22)13-4-8-15(9-5-13)20-18(24)21-16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H2,20,21,24)