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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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