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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[4-(m-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C23H20BrN3O3S/c1-14-4-3-5-15(12-14)21(28)25-17-7-9-18(10-8-17)26-23(31)27-22(29)19-13-16(24)6-11-20(19)30-2/h3-13H,1-2H3,(H,25,28)(H2,26,27,29,31)