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

Systemtic Name: 3-bromanyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C)Br

InChI

InChI=1S/C24H30BrN3O3S/c1-15(2)11-12-31-21-10-5-17(14-20(21)25)23(30)28-24(32)27-19-8-6-18(7-9-19)26-22(29)13-16(3)4/h5-10,14-16H,11-13H2,1-4H3,(H,26,29)(H2,27,28,30,32)