3-bromanyl-4-methyl-N-[(4-methylphenyl)-(4-oxidanylbutyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[(4-methylphenyl)-(4-oxidanylbutyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[4-hydroxybutyl(p-tolyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[N-(4-hydroxybutyl)-4-methylanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[4-hydroxybutyl-(4-methylphenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[4-hydroxybutyl(p-tolyl)thiocarbamoyl]-4-methyl-benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C20H23BrN2O2S/c1-14-5-9-17(10-6-14)23(11-3-4-12-24)20(26)22-19(25)16-8-7-15(2)18(21)13-16/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,22,25,26)