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

Systemtic Name: 5-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-2-ethoxy-benzamide Formula: C24H28BrN3O3S MolecularWeight: 518.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3

InChI

InChI=1S/C24H28BrN3O3S/c1-3-31-21-14-13-16(25)15-19(21)23(30)27-24(32)28(2)20-12-8-7-11-18(20)22(29)26-17-9-5-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,26,29)(H,27,30,32)