ethyl 2-[(2,6-dimethylpiperidin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2,6-dimethylpiperidin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2,6-dimethylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2,6-dimethyl-1-piperidinyl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,6-dimethylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2,6-dimethylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H28N2O2S2 MolecularWeight: 380.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3C(CCCC3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)N3C(CCCC3C)C

InChI

InChI=1S/C19H28N2O2S2/c1-4-23-18(22)16-14-10-5-6-11-15(14)25-17(16)20-19(24)21-12(2)8-7-9-13(21)3/h12-13H,4-11H2,1-3H3,(H,20,24)