1-[6-methoxy-2-methyl-5-[[4-(2-methylsulfanylcarbonylsulfanylphenyl)piperazin-1-yl]amino]pyridin-3-yl]ethanone

Systemtic Name: 1-[6-methoxy-2-methyl-5-[[4-(2-methylsulfanylcarbonylsulfanylphenyl)piperazin-1-yl]amino]pyridin-3-yl]ethanone Openeye Name: 1-[6-methoxy-2-methyl-5-[[4-(2-methylsulfanylcarbonylsulfanylphenyl)piperazin-1-yl]amino]-3-pyridyl]ethanone CAS Name: 1-[6-methoxy-2-methyl-5-[[4-[2-[[(methylthio)-oxomethyl]thio]phenyl]-1-piperazinyl]amino]-3-pyridinyl]ethanone IUPAC Name: 1-[6-methoxy-2-methyl-5-[[4-(2-methylsulfanylcarbonylsulfanylphenyl)piperazin-1-yl]amino]pyridin-3-yl]ethanone Traditional Name: 1-[6-methoxy-2-methyl-5-[[4-[2-[(methylthio)carbonylthio]phenyl]piperazino]amino]-3-pyridyl]ethanone Formula: C21H26N4O3S2 MolecularWeight: 446.58614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(=O)C)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(=O)C)NN2CCN(CC2)C3=CC=CC=C3SC(=O)SC)OC

InChI

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