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

Systemtic Name: 5-bromanyl-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C25H24BrN3O3S/c1-3-14-32-22-13-8-17(26)15-21(22)24(31)29-25(33)28-19-11-9-18(10-12-19)27-23(30)20-7-5-4-6-16(20)2/h4-13,15H,3,14H2,1-2H3,(H,27,30)(H2,28,29,31,33)