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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]benzamide Formula: C26H32BrN3O3S MolecularWeight: 546.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C26H32BrN3O3S/c1-3-4-16-33-23-15-14-18(17-21(23)27)24(31)29-26(34)30(2)22-13-9-8-12-20(22)25(32)28-19-10-6-5-7-11-19/h8-9,12-15,17,19H,3-7,10-11,16H2,1-2H3,(H,28,32)(H,29,31,34)