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

Systemtic Name: ethyl 2-(pyridin-4-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(4-pyridylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyridin-4-ylmethylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(4-pyridylmethylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NCC3=CC=NC=C3

InChI

InChI=1S/C19H23N3O2S2/c1-2-24-18(23)16-14-6-4-3-5-7-15(14)26-17(16)22-19(25)21-12-13-8-10-20-11-9-13/h8-11H,2-7,12H2,1H3,(H2,21,22,25)