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

Systemtic Name: 3-bromanyl-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H29BrN2O2S MolecularWeight: 453.43616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCCC2=CCCCC2)Br

InChI

InChI=1S/C21H29BrN2O2S/c1-15(2)11-13-26-19-9-8-17(14-18(19)22)20(25)24-21(27)23-12-10-16-6-4-3-5-7-16/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H2,23,24,25,27)