3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-heptyl-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]urea

Systemtic Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-heptyl-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]urea Openeye Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]-1-heptyl-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]urea CAS Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]-1-heptyl-1-[2-[4-(2-hydroxyethyl)-1-piperazinyl]ethyl]urea IUPAC Name: 3-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]-1-heptyl-1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]urea Traditional Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]-1-heptyl-1-[2-[4-(2-hydroxyethyl)piperazino]ethyl]urea Formula: C26H47N5O2S2 MolecularWeight: 525.81368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCN1CCN(CC1)CCO)C(=O)NC2=C(N=C(C=C2SCC)C)SCC

Isomeric SMILES

CCCCCCCN(CCN1CCN(CC1)CCO)C(=O)NC2=C(N=C(C=C2SCC)C)SCC

InChI

InChI=1S/C26H47N5O2S2/c1-5-8-9-10-11-12-31(18-17-29-13-15-30(16-14-29)19-20-32)26(33)28-24-23(34-6-2)21-22(4)27-25(24)35-7-3/h21,32H,5-20H2,1-4H3,(H,28,33)