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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC2=CC=CC=C2C=C1)C(=O)NC3=C(N=C(C=C3SCC)C)SCC

Isomeric SMILES

CCCCCCCN(CC1=CC2=CC=CC=C2C=C1)C(=O)NC3=C(N=C(C=C3SCC)C)SCC

InChI

InChI=1S/C29H39N3OS2/c1-5-8-9-10-13-18-32(21-23-16-17-24-14-11-12-15-25(24)20-23)29(33)31-27-26(34-6-2)19-22(4)30-28(27)35-7-3/h11-12,14-17,19-20H,5-10,13,18,21H2,1-4H3,(H,31,33)