ethyl 4-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-chloro-4-ethoxy-benzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-ethoxybenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C25H24ClN3O4S MolecularWeight: 497.99376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)OCC)Cl

InChI

InChI=1S/C25H24ClN3O4S/c1-3-32-22-12-9-19(14-21(22)26)23(30)28-25(34)29(16-17-6-5-13-27-15-17)20-10-7-18(8-11-20)24(31)33-4-2/h5-15H,3-4,16H2,1-2H3,(H,28,30,34)