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

Systemtic Name: methyl 2-(pyridin-3-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(3-pyridylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(pyridin-3-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(3-pyridylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C17H19N3O2S2/c1-22-16(21)14-12-7-3-2-4-8-13(12)24-15(14)20-17(23)19-11-6-5-9-18-10-11/h5-6,9-10H,2-4,7-8H2,1H3,(H2,19,20,23)