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

Systemtic Name: 1-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-3-(6-methyl-2-naphthalen-1-yl-heptyl)urea Openeye Name: 1-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]-3-[6-methyl-2-(1-naphthyl)heptyl]urea CAS Name: 1-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]-3-[6-methyl-2-(1-naphthalenyl)heptyl]urea IUPAC Name: 1-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]-3-(6-methyl-2-naphthalen-1-ylheptyl)urea Traditional Name: 1-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]-3-[6-methyl-2-(1-naphthyl)heptyl]urea Formula: C29H39N3OS2 MolecularWeight: 509.76946

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)NCC(CCCC(C)C)C2=CC=CC3=CC=CC=C32)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)NCC(CCCC(C)C)C2=CC=CC3=CC=CC=C32)SCC)C

InChI

InChI=1S/C29H39N3OS2/c1-6-34-26-18-21(5)31-28(35-7-2)27(26)32-29(33)30-19-23(15-10-12-20(3)4)25-17-11-14-22-13-8-9-16-24(22)25/h8-9,11,13-14,16-18,20,23H,6-7,10,12,15,19H2,1-5H3,(H2,30,32,33)