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

Systemtic Name: 3-bromanyl-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[3-(m-tolylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCC(C)C)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-16(2)15-33-23-11-10-19(14-22(23)27)25(32)30-26(34)29-21-9-5-7-18(13-21)24(31)28-20-8-4-6-17(3)12-20/h4-14,16H,15H2,1-3H3,(H,28,31)(H2,29,30,32,34)