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

Systemtic Name: methyl 3-chloranyl-6-(2-piperidin-1-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-(1-piperidyl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(2-piperidin-1-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(2-piperidinoethylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H22ClN3O2S2 MolecularWeight: 411.96918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCN3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCN3CCCCC3)Cl

InChI

InChI=1S/C18H22ClN3O2S2/c1-24-17(23)16-15(19)13-6-5-12(11-14(13)26-16)21-18(25)20-7-10-22-8-3-2-4-9-22/h5-6,11H,2-4,7-10H2,1H3,(H2,20,21,25)