ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCC3=CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NCCC3=CCCCC3

InChI

InChI=1S/C20H28N2O2S2/c1-2-24-19(23)17-15-10-6-7-11-16(15)26-18(17)22-20(25)21-13-12-14-8-4-3-5-9-14/h8H,2-7,9-13H2,1H3,(H2,21,22,25)