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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-14(2)13-30-19-9-8-15(12-17(19)23)20(28)26-22(31)25-18-7-4-3-6-16(18)21(29)24-10-5-11-27/h3-4,6-9,12,14,27H,5,10-11,13H2,1-2H3,(H,24,29)(H2,25,26,28,31)