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

Systemtic Name: methyl 2-(piperidin-1-ylcarbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(piperidine-1-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-piperidinyl(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(piperidine-1-carbothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(piperidine-1-carbothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3CCCCC3

InChI

InChI=1S/C16H22N2O2S2/c1-20-15(19)13-11-7-3-4-8-12(11)22-14(13)17-16(21)18-9-5-2-6-10-18/h2-10H2,1H3,(H,17,21)