3-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[2-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H34BrN3O3S MolecularWeight: 560.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C27H34BrN3O3S/c1-2-3-4-10-17-34-24-16-15-19(18-22(24)28)25(32)31-27(35)30-23-14-9-8-13-21(23)26(33)29-20-11-6-5-7-12-20/h8-9,13-16,18,20H,2-7,10-12,17H2,1H3,(H,29,33)(H2,30,31,32,35)