3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea

Systemtic Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-pyridin-3-yl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea Openeye Name: 3-[2,4-bis(ethylsulfanyl)-6-methyl-3-pyridyl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea CAS Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridinyl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea IUPAC Name: 3-[2,4-bis(ethylsulfanyl)-6-methylpyridin-3-yl]-1-cycloheptyl-1-[(4-phenylphenyl)methyl]urea Traditional Name: 3-[2,4-bis(ethylthio)-6-methyl-3-pyridyl]-1-cycloheptyl-1-(4-phenylbenzyl)urea Formula: C31H39N3OS2 MolecularWeight: 533.79086

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=NC(=C1NC(=O)N(CC2=CC=C(C=C2)C3=CC=CC=C3)C4CCCCCC4)SCC)C

Isomeric SMILES

CCSC1=CC(=NC(=C1NC(=O)N(CC2=CC=C(C=C2)C3=CC=CC=C3)C4CCCCCC4)SCC)C

InChI

InChI=1S/C31H39N3OS2/c1-4-36-28-21-23(3)32-30(37-5-2)29(28)33-31(35)34(27-15-11-6-7-12-16-27)22-24-17-19-26(20-18-24)25-13-9-8-10-14-25/h8-10,13-14,17-21,27H,4-7,11-12,15-16,22H2,1-3H3,(H,33,35)