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

Systemtic Name: ethyl 4-[(2-chlorophenyl)carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-chlorobenzoyl)carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorobenzoyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(2-chlorobenzoyl)thiocarbamoyl-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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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=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H20ClN3O3S/c1-2-30-22(29)17-7-9-18(10-8-17)27(15-16-11-13-25-14-12-16)23(31)26-21(28)19-5-3-4-6-20(19)24/h3-14H,2,15H2,1H3,(H,26,28,31)