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

Systemtic Name: methyl 3-[(2,4-dichlorophenyl)methylcarbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2,4-dichlorophenyl)methylcarbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,4-dichlorophenyl)methylcarbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2,4-dichlorobenzyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H14Cl2N2O3S MolecularWeight: 397.27566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O3S/c1-24-16(23)11-4-2-3-10(7-11)15(22)21-17(25)20-9-12-5-6-13(18)8-14(12)19/h2-8H,9H2,1H3,(H2,20,21,22,25)