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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-3-4-14-33-23-13-8-19(16-22(23)27)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)