3-bromanyl-N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-[(3-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H17BrClN3O3S MolecularWeight: 518.81068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrClN3O3S/c1-30-19-10-5-14(12-18(19)23)21(29)27-22(31)26-17-8-6-16(7-9-17)25-20(28)13-3-2-4-15(24)11-13/h2-12H,1H3,(H,25,28)(H2,26,27,29,31)