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

Systemtic Name: ethyl 2-(azepan-1-ylcarbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(azepane-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(azepane-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(azepane-1-carbothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H28N2O2S2 MolecularWeight: 380.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N3CCCCCC3

InChI

InChI=1S/C19H28N2O2S2/c1-2-23-18(22)16-14-10-6-5-7-11-15(14)25-17(16)20-19(24)21-12-8-3-4-9-13-21/h2-13H2,1H3,(H,20,24)