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

Systemtic Name: ethyl 2-(heptan-2-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(1-methylhexylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(heptan-2-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1-methylhexylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H32N2O2S2 MolecularWeight: 396.61028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

Isomeric SMILES

CCCCCC(C)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

InChI

InChI=1S/C20H32N2O2S2/c1-4-6-8-11-14(3)21-20(25)22-18-17(19(23)24-5-2)15-12-9-7-10-13-16(15)26-18/h14H,4-13H2,1-3H3,(H2,21,22,25)