5-bromanyl-2-butoxy-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H26BrN3O3S/c1-3-4-14-33-23-13-8-19(27)16-22(23)25(32)30-26(34)29-21-11-9-20(10-12-21)28-24(31)18-7-5-6-17(2)15-18/h5-13,15-16H,3-4,14H2,1-2H3,(H,28,31)(H2,29,30,32,34)