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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(4-methylphenyl)-(4-oxidanylbutyl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[4-hydroxybutyl(p-tolyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[N-(4-hydroxybutyl)-4-methylanilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[4-hydroxybutyl-(4-methylphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[4-hydroxybutyl(p-tolyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-14-5-8-16(9-6-14)23(11-3-4-12-24)20(27)22-19(25)15-7-10-18(26-2)17(21)13-15/h5-10,13,24H,3-4,11-12H2,1-2H3,(H,22,25,27)