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

Systemtic Name: 3-bromanyl-N-[[4-[(2-chlorophenyl)carbonylamino]-3-methoxy-phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C23H19BrClN3O4S MolecularWeight: 548.83666

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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=C3Cl)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3Cl)OC)Br

InChI

InChI=1S/C23H19BrClN3O4S/c1-31-19-10-7-13(11-16(19)24)21(29)28-23(33)26-14-8-9-18(20(12-14)32-2)27-22(30)15-5-3-4-6-17(15)25/h3-12H,1-2H3,(H,27,30)(H2,26,28,29,33)