methyl 3-[[2,5-bis(chloranyl)thiophen-3-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[[2,5-bis(chloranyl)thiophen-3-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(2,5-dichlorothiophene-3-carbonyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(2,5-dichloro-3-thiophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,5-dichlorothiophene-3-carbonyl)carbamothioylamino]benzoate Traditional Name: 3-[(2,5-dichlorothiophene-3-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H10Cl2N2O3S2 MolecularWeight: 389.2768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10Cl2N2O3S2/c1-21-13(20)7-3-2-4-8(5-7)17-14(22)18-12(19)9-6-10(15)23-11(9)16/h2-6H,1H3,(H2,17,18,19,22)