methyl 3-chloranyl-6-(phenylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(phenylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(phenylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 6-[[anilino(sulfanylidene)methyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(phenylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(phenylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H13ClN2O2S2 MolecularWeight: 376.88032

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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=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O2S2/c1-22-16(21)15-14(18)12-8-7-11(9-13(12)24-15)20-17(23)19-10-5-3-2-4-6-10/h2-9H,1H3,(H2,19,20,23)