methyl 3-chloranyl-6-[2-(4-chlorophenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-(4-chlorophenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(4-chlorophenyl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-(4-chlorophenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-(4-chlorophenyl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H16Cl2N2O2S2 MolecularWeight: 439.37854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O2S2/c1-25-18(24)17-16(21)14-7-6-13(10-15(14)27-17)23-19(26)22-9-8-11-2-4-12(20)5-3-11/h2-7,10H,8-9H2,1H3,(H2,22,23,26)