ethyl 4-[(2-methoxyphenyl)carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(2-methoxyphenyl)carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-methoxybenzoyl)carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methoxybenzoyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[o-anisoylthiocarbamoyl(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C24H23N3O4S/c1-3-31-23(29)18-8-10-19(11-9-18)27(16-17-12-14-25-15-13-17)24(32)26-22(28)20-6-4-5-7-21(20)30-2/h4-15H,3,16H2,1-2H3,(H,26,28,32)