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

Systemtic Name: 3-bromanyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-13(2)12-29-19-10-5-15(11-18(19)23)21(28)26-22(30)25-17-8-6-16(7-9-17)24-20(27)14(3)4/h5-11,13-14H,12H2,1-4H3,(H,24,27)(H2,25,26,28,30)