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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO)Br

InChI

InChI=1S/C23H28BrN3O4S/c1-15(2)10-13-31-20-9-8-16(14-18(20)24)21(29)27-23(32)26-19-7-4-3-6-17(19)22(30)25-11-5-12-28/h3-4,6-9,14-15,28H,5,10-13H2,1-2H3,(H,25,30)(H2,26,27,29,32)