3-bromanyl-N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[2-(1-cyclohexenyl)ethyl-(4-hydroxybutyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C21H29BrN2O3S MolecularWeight: 469.43556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)CCC2=CCCCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CCCCO)CCC2=CCCCC2)Br

InChI

InChI=1S/C21H29BrN2O3S/c1-27-19-10-9-17(15-18(19)22)20(26)23-21(28)24(12-5-6-14-25)13-11-16-7-3-2-4-8-16/h7,9-10,15,25H,2-6,8,11-14H2,1H3,(H,23,26,28)