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

Systemtic Name: 3-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-4-isoamoxy-benzamide Formula: C27H34BrN3O3S MolecularWeight: 560.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34BrN3O3S/c1-18(2)15-16-34-24-14-13-19(17-22(24)28)25(32)30-27(35)31(3)23-12-8-7-11-21(23)26(33)29-20-9-5-4-6-10-20/h7-8,11-14,17-18,20H,4-6,9-10,15-16H2,1-3H3,(H,29,33)(H,30,32,35)