[2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-methoxy-4-[(Z)-(3-morpholinopropylcarbamothioylhydrazono)methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(Z)-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(3-morpholin-4-ylpropylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-methoxy-4-[(Z)-(3-morpholinopropylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCCCN2CCOCC2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=S)NCCCN2CCOCC2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H27N5O4S/c1-29-20-14-17(5-6-19(20)31-21(28)18-4-2-7-23-16-18)15-25-26-22(32)24-8-3-9-27-10-12-30-13-11-27/h2,4-7,14-16H,3,8-13H2,1H3,(H2,24,26,32)/b25-15-