methyl 3-chloranyl-6-[(2-chlorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-chlorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2-chlorophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-chloroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2-chlorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2-chlorophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H12Cl2N2O2S2 MolecularWeight: 411.32538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=CC=C3Cl)Cl

InChI

InChI=1S/C17H12Cl2N2O2S2/c1-23-16(22)15-14(19)10-7-6-9(8-13(10)25-15)20-17(24)21-12-5-3-2-4-11(12)18/h2-8H,1H3,(H2,20,21,24)