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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(o-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=C3C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

InChI

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