ethyl 4-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(2-methoxy-3-methyl-phenyl)carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-methoxy-3-methyl-benzoyl)carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methoxy-3-methylbenzoyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(2-methoxy-3-methyl-benzoyl)thiocarbamoyl-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-4-32-24(30)19-8-10-20(11-9-19)28(16-18-12-14-26-15-13-18)25(33)27-23(29)21-7-5-6-17(2)22(21)31-3/h5-15H,4,16H2,1-3H3,(H,27,29,33)