methyl 4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(3,4-dichlorophenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dichlorophenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(3,4-dichlorophenyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C17H16Cl2N2O2S MolecularWeight: 383.29214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O2S/c1-23-16(22)12-3-5-13(6-4-12)21-17(24)20-9-8-11-2-7-14(18)15(19)10-11/h2-7,10H,8-9H2,1H3,(H2,20,21,24)