3-bromanyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-4-hexoxy-benzamide Formula: C22H31BrN2O2S MolecularWeight: 467.46274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

InChI

InChI=1S/C22H31BrN2O2S/c1-2-3-4-8-15-27-20-12-11-18(16-19(20)23)21(26)25-22(28)24-14-13-17-9-6-5-7-10-17/h9,11-12,16H,2-8,10,13-15H2,1H3,(H2,24,25,26,28)