methyl 2-(2-piperidin-1-ylethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-piperidin-1-ylethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(1-piperidyl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-piperidin-1-ylethylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-piperidinoethylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCN3CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCN3CCCCC3

InChI

InChI=1S/C18H27N3O2S2/c1-23-17(22)15-13-7-3-4-8-14(13)25-16(15)20-18(24)19-9-12-21-10-5-2-6-11-21/h2-12H2,1H3,(H2,19,20,24)