3-bromanyl-N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[cyclohexyl(methyl)amino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[cyclohexyl(methyl)carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[cyclohexyl(methyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H31BrN2O2S MolecularWeight: 455.45204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2CCCCC2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2CCCCC2)Br

InChI

InChI=1S/C21H31BrN2O2S/c1-3-4-5-9-14-26-19-13-12-16(15-18(19)22)20(25)23-21(27)24(2)17-10-7-6-8-11-17/h12-13,15,17H,3-11,14H2,1-2H3,(H,23,25,27)