ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCC3=CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCC3=CCCCC3

InChI

InChI=1S/C22H26N2O2S2/c1-2-26-21(25)18-15-19(17-11-7-4-8-12-17)28-20(18)24-22(27)23-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,15H,2-3,5-6,10,13-14H2,1H3,(H2,23,24,27)