3-bromanyl-N-[[4-[(4-methoxyphenyl)amino]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[4-[(4-methoxyphenyl)amino]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(4-methoxyanilino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(4-methoxyanilino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(4-methoxyanilino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(p-anisidino)phenyl]thiocarbamoyl]benzamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-27-19-11-9-17(10-12-19)23-16-5-7-18(8-6-16)24-21(28)25-20(26)14-3-2-4-15(22)13-14/h2-13,23H,1H3,(H2,24,25,26,28)