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

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(2-naphthalen-1-ylheptyl)urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[2-(1-naphthyl)heptyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[2-(1-naphthalenyl)heptyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(2-naphthalen-1-ylheptyl)urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[2-(1-naphthyl)heptyl]urea Formula: C26H33N3OS2 MolecularWeight: 467.68972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3OS2/c1-5-6-7-12-20(22-15-10-13-19-11-8-9-14-21(19)22)17-27-26(30)29-24-23(31-3)16-18(2)28-25(24)32-4/h8-11,13-16,20H,5-7,12,17H2,1-4H3,(H2,27,29,30)