ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-chloro-benzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-chlorobenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H19BrClN3O3S MolecularWeight: 532.83726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C23H19BrClN3O3S/c1-2-31-22(30)16-5-8-18(9-6-16)28(14-15-4-3-11-26-13-15)23(32)27-21(29)19-12-17(24)7-10-20(19)25/h3-13H,2,14H2,1H3,(H,27,29,32)