methyl 3-chloranyl-6-(piperidin-1-ylcarbothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(piperidin-1-ylcarbothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(piperidine-1-carbothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[1-piperidinyl(sulfanylidene)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(piperidine-1-carbothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(piperidine-1-carbothioylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C16H17ClN2O2S2 MolecularWeight: 368.90138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N3CCCCC3)Cl

InChI

InChI=1S/C16H17ClN2O2S2/c1-21-15(20)14-13(17)11-6-5-10(9-12(11)23-14)18-16(22)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,18,22)