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

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]benzoate Traditional Name: 3-[2-(cyclohexen-1-yl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O2S/c1-21-16(20)14-8-5-9-15(12-14)19-17(22)18-11-10-13-6-3-2-4-7-13/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H2,18,19,22)