ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(3,4-dichlorobenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H16Cl2N2O2S MolecularWeight: 383.29214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O2S/c1-2-23-16(22)12-4-6-13(7-5-12)21-17(24)20-10-11-3-8-14(18)15(19)9-11/h3-9H,2,10H2,1H3,(H2,20,21,24)