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

Systemtic Name: 3-bromanyl-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC1=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/C25H24BrN3O3S/c1-3-13-32-22-12-7-18(15-21(22)26)24(31)29-25(33)28-20-10-8-19(9-11-20)27-23(30)17-6-4-5-16(2)14-17/h4-12,14-15H,3,13H2,1-2H3,(H,27,30)(H2,28,29,31,33)