3-bromanyl-N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(2,4-dimethylphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[N-(4-hydroxybutyl)-2,4-dimethylanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(2,4-dimethylphenyl)-(4-hydroxybutyl)thiocarbamoyl]-4-methyl-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2S/c1-14-6-9-19(16(3)12-14)24(10-4-5-11-25)21(27)23-20(26)17-8-7-15(2)18(22)13-17/h6-9,12-13,25H,4-5,10-11H2,1-3H3,(H,23,26,27)