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

Systemtic Name: ethyl 2-[(2-ethylpiperidin-1-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-ethylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-1-piperidinyl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-ethylpiperidine-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:

CCC1CCCCN1C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC1CCCCN1C(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C19H28N2O2S2/c1-3-13-9-7-8-12-21(13)19(24)20-17-16(18(22)23-4-2)14-10-5-6-11-15(14)25-17/h13H,3-12H2,1-2H3,(H,20,24)