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

Systemtic Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(6-methyl-2-naphthalen-1-yl-heptyl)urea Openeye Name: 1-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-3-[6-methyl-2-(1-naphthyl)heptyl]urea CAS Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-3-[6-methyl-2-(1-naphthalenyl)heptyl]urea IUPAC Name: 1-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-3-(6-methyl-2-naphthalen-1-ylheptyl)urea Traditional Name: 1-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-3-[6-methyl-2-(1-naphthyl)heptyl]urea Formula: C27H35N3OS2 MolecularWeight: 481.7163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)NCC(CCCC(C)C)C2=CC=CC3=CC=CC=C32)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)NCC(CCCC(C)C)C2=CC=CC3=CC=CC=C32)SC

InChI

InChI=1S/C27H35N3OS2/c1-18(2)10-8-13-21(23-15-9-12-20-11-6-7-14-22(20)23)17-28-27(31)30-25-24(32-4)16-19(3)29-26(25)33-5/h6-7,9,11-12,14-16,18,21H,8,10,13,17H2,1-5H3,(H2,28,30,31)