methyl 3-chloranyl-6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H16Cl2N2O4S2 MolecularWeight: 471.37734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)OC)Cl

InChI

InChI=1S/C19H16Cl2N2O4S2/c1-25-13-8-12(14(26-2)7-11(13)20)23-19(28)22-9-4-5-10-15(6-9)29-17(16(10)21)18(24)27-3/h4-8H,1-3H3,(H2,22,23,28)