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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[2-(phenylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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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)NC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C25H24BrN3O3S/c1-16(2)15-32-22-13-12-17(14-20(22)26)23(30)29-25(33)28-21-11-7-6-10-19(21)24(31)27-18-8-4-3-5-9-18/h3-14,16H,15H2,1-2H3,(H,27,31)(H2,28,29,30,33)