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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

Isomeric SMILES

CCCN1CCC(CC1)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

InChI

InChI=1S/C21H33N3O2S2/c1-3-12-24-13-10-15(11-14-24)22-21(27)23-19-18(20(25)26-4-2)16-8-6-5-7-9-17(16)28-19/h15H,3-14H2,1-2H3,(H2,22,23,27)