6-methoxy-2-methyl-5-[[[4-(4-methylphenyl)piperazin-1-yl]-methylsulfanyl-methylidene]amino]pyridine-3-carboxylic acid

Systemtic Name: 6-methoxy-2-methyl-5-[[[4-(4-methylphenyl)piperazin-1-yl]-methylsulfanyl-methylidene]amino]pyridine-3-carboxylic acid Openeye Name: 6-methoxy-2-methyl-5-[[methylsulfanyl-[4-(p-tolyl)piperazin-1-yl]methylene]amino]pyridine-3-carboxylic acid CAS Name: 6-methoxy-2-methyl-5-[[[4-(4-methylphenyl)-1-piperazinyl]-(methylthio)methylidene]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-methoxy-2-methyl-5-[[[4-(4-methylphenyl)piperazin-1-yl]-methylsulfanylmethylidene]amino]pyridine-3-carboxylic acid Traditional Name: 6-methoxy-2-methyl-5-[[(methylthio)-[4-(p-tolyl)piperazino]methylene]amino]nicotinic acid Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-14-5-7-16(8-6-14)24-9-11-25(12-10-24)21(29-4)23-18-13-17(20(26)27)15(2)22-19(18)28-3/h5-8,13H,9-12H2,1-4H3,(H,26,27)