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

Systemtic Name: 1-[2,4-bis(ethylsulfanylmethyl)pyridin-3-yl]-3-(6-methyl-2-naphthalen-1-yl-heptyl)urea Openeye Name: 1-[2,4-bis(ethylsulfanylmethyl)-3-pyridyl]-3-[6-methyl-2-(1-naphthyl)heptyl]urea CAS Name: 1-[2,4-bis[(ethylthio)methyl]-3-pyridinyl]-3-[6-methyl-2-(1-naphthalenyl)heptyl]urea IUPAC Name: 1-[2,4-bis(ethylsulfanylmethyl)pyridin-3-yl]-3-(6-methyl-2-naphthalen-1-ylheptyl)urea Traditional Name: 1-[2,4-bis[(ethylthio)methyl]-3-pyridyl]-3-[6-methyl-2-(1-naphthyl)heptyl]urea Formula: C30H41N3OS2 MolecularWeight: 523.79604

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C(=NC=C1)CSCC)NC(=O)NCC(CCCC(C)C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCSCC1=C(C(=NC=C1)CSCC)NC(=O)NCC(CCCC(C)C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C30H41N3OS2/c1-5-35-20-25-17-18-31-28(21-36-6-2)29(25)33-30(34)32-19-24(14-9-11-22(3)4)27-16-10-13-23-12-7-8-15-26(23)27/h7-8,10,12-13,15-18,22,24H,5-6,9,11,14,19-21H2,1-4H3,(H2,32,33,34)