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

Systemtic Name: ethyl 2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(pyridine-2-carbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo(2-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(pyridine-2-carbonylamino)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(picolinamidothiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C19H22N4O3S2/c1-2-26-18(25)15-12-8-4-3-5-10-14(12)28-17(15)21-19(27)23-22-16(24)13-9-6-7-11-20-13/h6-7,9,11H,2-5,8,10H2,1H3,(H,22,24)(H2,21,23,27)