5-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-2-hexoxy-benzamide Formula: C28H36BrN3O3S MolecularWeight: 574.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3

InChI

InChI=1S/C28H36BrN3O3S/c1-3-4-5-11-18-35-25-17-16-20(29)19-23(25)27(34)31-28(36)32(2)24-15-10-9-14-22(24)26(33)30-21-12-7-6-8-13-21/h9-10,14-17,19,21H,3-8,11-13,18H2,1-2H3,(H,30,33)(H,31,34,36)