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

Systemtic Name: ethyl 2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O2S2 MolecularWeight: 428.61062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CCCCC3

InChI

InChI=1S/C23H28N2O2S2/c1-2-27-22(26)20-16-19(15-18-11-7-4-8-12-18)29-21(20)25-23(28)24-14-13-17-9-5-3-6-10-17/h4,7-9,11-12,16H,2-3,5-6,10,13-15H2,1H3,(H2,24,25,28)