methyl 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H12Cl2N2O3S2 MolecularWeight: 439.33548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H12Cl2N2O3S2/c1-25-17(24)10-4-2-3-5-12(10)21-18(26)22-16(23)15-14(20)11-7-6-9(19)8-13(11)27-15/h2-8H,1H3,(H2,21,22,23,26)