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

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(2-naphthalen-2-ylhexyl)urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[2-(2-naphthyl)hexyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[2-(2-naphthalenyl)hexyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(2-naphthalen-2-ylhexyl)urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[2-(2-naphthyl)hexyl]urea Formula: C25H31N3OS2 MolecularWeight: 453.66314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(=O)NC1=C(N=C(C=C1SC)C)SC)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCC(CNC(=O)NC1=C(N=C(C=C1SC)C)SC)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H31N3OS2/c1-5-6-9-21(20-13-12-18-10-7-8-11-19(18)15-20)16-26-25(29)28-23-22(30-3)14-17(2)27-24(23)31-4/h7-8,10-15,21H,5-6,9,16H2,1-4H3,(H2,26,28,29)