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

Systemtic Name: ethyl 4-[(3,5-diethoxyphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3,5-diethoxybenzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3,5-diethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-diethoxybenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(3,5-diethoxybenzoyl)thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C27H29N3O5S MolecularWeight: 507.60126

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5S/c1-4-33-23-14-21(15-24(16-23)34-5-2)25(31)29-27(36)30(18-19-8-7-13-28-17-19)22-11-9-20(10-12-22)26(32)35-6-3/h7-17H,4-6,18H2,1-3H3,(H,29,31,36)