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

Systemtic Name: methyl 3-chloranyl-6-(pyrazin-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(pyrazin-2-ylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(pyrazin-2-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(pyrazin-2-ylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C15H11ClN4O2S2 MolecularWeight: 378.85644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN4O2S2/c1-22-14(21)13-12(16)9-3-2-8(6-10(9)24-13)19-15(23)20-11-7-17-4-5-18-11/h2-7H,1H3,(H2,18,19,20,23)