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

Systemtic Name: ethyl 2-(propylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(propylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[propylamino(sulfanylidene)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(propylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(propylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C16H24N2O2S2 MolecularWeight: 340.50396

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

InChI

InChI=1S/C16H24N2O2S2/c1-3-10-17-16(21)18-14-13(15(19)20-4-2)11-8-6-5-7-9-12(11)22-14/h3-10H2,1-2H3,(H2,17,18,21)