ethyl 3-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate Traditional Name: 3-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CCCCC2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCCC2=CCCCC2

InChI

InChI=1S/C18H24N2O2S/c1-2-22-17(21)15-9-6-10-16(13-15)20-18(23)19-12-11-14-7-4-3-5-8-14/h6-7,9-10,13H,2-5,8,11-12H2,1H3,(H2,19,20,23)