1-cycloheptyl-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]urea

Systemtic Name: 1-cycloheptyl-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]urea Openeye Name: 1-cycloheptyl-3-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]urea CAS Name: 1-cycloheptyl-3-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-1-[[3-(1-methyl-4-pyrazolyl)phenyl]methyl]urea IUPAC Name: 1-cycloheptyl-3-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]urea Traditional Name: 1-cycloheptyl-3-[6-methyl-2,4-bis(methylthio)-3-pyridyl]-1-[3-(1-methylpyrazol-4-yl)benzyl]urea Formula: C27H35N5OS2 MolecularWeight: 509.7297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)N(CC2=CC=CC(=C2)C3=CN(N=C3)C)C4CCCCCC4)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)N(CC2=CC=CC(=C2)C3=CN(N=C3)C)C4CCCCCC4)SC

InChI

InChI=1S/C27H35N5OS2/c1-19-14-24(34-3)25(26(29-19)35-4)30-27(33)32(23-12-7-5-6-8-13-23)17-20-10-9-11-21(15-20)22-16-28-31(2)18-22/h9-11,14-16,18,23H,5-8,12-13,17H2,1-4H3,(H,30,33)