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

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(2-naphthalen-1-ylhexyl)urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[2-(1-naphthyl)hexyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[2-(1-naphthalenyl)hexyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(2-naphthalen-1-ylhexyl)urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[2-(1-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=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCC(CNC(=O)NC1=C(N=C(C=C1SC)C)SC)C2=CC=CC3=CC=CC=C32

InChI

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