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

Systemtic Name: ethyl 4-[(3-methylphenyl)carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-methylbenzoyl)carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylbenzoyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[m-toluoylthiocarbamoyl(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-3-30-23(29)19-7-9-21(10-8-19)27(16-18-11-13-25-14-12-18)24(31)26-22(28)20-6-4-5-17(2)15-20/h4-15H,3,16H2,1-2H3,(H,26,28,31)