ethyl 4-[(3-ethoxyphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(3-ethoxyphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-ethoxybenzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxybenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(3-ethoxybenzoyl)thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-3-31-22-9-5-8-20(15-22)23(29)27-25(33)28(17-18-7-6-14-26-16-18)21-12-10-19(11-13-21)24(30)32-4-2/h5-16H,3-4,17H2,1-2H3,(H,27,29,33)