methyl 3-chloranyl-6-(pyridin-4-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(pyridin-4-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(4-pyridylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pyridin-4-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(4-pyridylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C16H12ClN3O2S2 MolecularWeight: 377.86838

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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=NC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C16H12ClN3O2S2/c1-22-15(21)14-13(17)11-3-2-10(8-12(11)24-14)20-16(23)19-9-4-6-18-7-5-9/h2-8H,1H3,(H2,18,19,20,23)