ethyl 4-[pyridin-3-ylmethyl-[(3,4,5-triethoxyphenyl)carbonylcarbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[pyridin-3-ylmethyl-[(3,4,5-triethoxyphenyl)carbonylcarbamothioyl]amino]benzoate Openeye Name: ethyl 4-[3-pyridylmethyl-[(3,4,5-triethoxybenzoyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[pyridin-3-ylmethyl-[(3,4,5-triethoxybenzoyl)carbamothioyl]amino]benzoate Traditional Name: 4-[3-pyridylmethyl-[(3,4,5-triethoxybenzoyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C29H33N3O6S/c1-5-35-24-16-22(17-25(36-6-2)26(24)37-7-3)27(33)31-29(39)32(19-20-10-9-15-30-18-20)23-13-11-21(12-14-23)28(34)38-8-4/h9-18H,5-8,19H2,1-4H3,(H,31,33,39)