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

Systemtic Name: 3-bromanyl-4-methyl-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-12-7-8-13(11-15(12)20)17(25)23-19(27)22-16-6-3-2-5-14(16)18(26)21-9-4-10-24/h2-3,5-8,11,24H,4,9-10H2,1H3,(H,21,26)(H2,22,23,25,27)