methyl 6-methoxy-2-methyl-5-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbothioylamino]pyridine-3-carboxylate

Systemtic Name: methyl 6-methoxy-2-methyl-5-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbothioylamino]pyridine-3-carboxylate Openeye Name: methyl 6-methoxy-2-methyl-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]pyridine-3-carboxylate CAS Name: 6-methoxy-2-methyl-5-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-2-methyl-5-[[4-(2-methylsulfanylphenyl)piperazine-1-carbothioyl]amino]pyridine-3-carboxylate Traditional Name: 6-methoxy-2-methyl-5-[[4-[2-(methylthio)phenyl]piperazine-1-carbothioyl]amino]nicotinic acid methyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)OC

InChI

InChI=1S/C21H26N4O3S2/c1-14-15(20(26)28-3)13-16(19(22-14)27-2)23-21(29)25-11-9-24(10-12-25)17-7-5-6-8-18(17)30-4/h5-8,13H,9-12H2,1-4H3,(H,23,29)