ethyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-isopropyl-4-piperidyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(1-propan-2-yl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(1-isopropyl-4-piperidyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H33N3O2S2 MolecularWeight: 423.63562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3CCN(CC3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3CCN(CC3)C(C)C

InChI

InChI=1S/C21H33N3O2S2/c1-4-26-20(25)18-16-8-6-5-7-9-17(16)28-19(18)23-21(27)22-15-10-12-24(13-11-15)14(2)3/h14-15H,4-13H2,1-3H3,(H2,22,23,27)