methyl 6-methoxy-2-methyl-5-[[4-(3-methyl-5-methylsulfanylcarbonyl-phenyl)piperazin-1-yl]amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-methoxy-2-methyl-5-[[4-(3-methyl-5-methylsulfanylcarbonyl-phenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-methoxy-2-methyl-5-[[4-(3-methyl-5-methylsulfanylcarbonyl-phenyl)piperazin-1-yl]amino]pyridine-3-carboxylate CAS Name: 6-methoxy-2-methyl-5-[[4-[3-methyl-5-[(methylthio)-oxomethyl]phenyl]-1-piperazinyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-2-methyl-5-[[4-(3-methyl-5-methylsulfanylcarbonylphenyl)piperazin-1-yl]amino]pyridine-3-carboxylate Traditional Name: 6-methoxy-2-methyl-5-[[4-[3-methyl-5-(methylthio)carbonyl-phenyl]piperazino]amino]nicotinic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)C(=O)OC)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)C(=O)OC)C)OC

InChI

InChI=1S/C22H28N4O4S/c1-14-10-16(22(28)31-5)12-17(11-14)25-6-8-26(9-7-25)24-19-13-18(21(27)30-4)15(2)23-20(19)29-3/h10-13,24H,6-9H2,1-5H3