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

Systemtic Name: 3-bromanyl-4-butoxy-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]benzamide Formula: C20H27BrN2O2S MolecularWeight: 439.40958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

InChI

InChI=1S/C20H27BrN2O2S/c1-2-3-13-25-18-10-9-16(14-17(18)21)19(24)23-20(26)22-12-11-15-7-5-4-6-8-15/h7,9-10,14H,2-6,8,11-13H2,1H3,(H2,22,23,24,26)