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

Systemtic Name: ethyl 2-[(1-ethylpiperidin-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-4-piperidyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethylpiperidin-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-4-piperidyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H29N3O2S2 MolecularWeight: 395.58246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCN1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C19H29N3O2S2/c1-3-22-11-9-13(10-12-22)20-19(25)21-17-16(18(23)24-4-2)14-7-5-6-8-15(14)26-17/h13H,3-12H2,1-2H3,(H2,20,21,25)