ethyl 2-(heptylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(heptylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(heptylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(heptylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(heptylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(heptylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H30N2O2S2 MolecularWeight: 382.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCCCCCCNC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C19H30N2O2S2/c1-3-5-6-7-10-13-20-19(24)21-17-16(18(22)23-4-2)14-11-8-9-12-15(14)25-17/h3-13H2,1-2H3,(H2,20,21,24)