1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-(1-methylsulfonylpiperidin-4-yl)urea

Systemtic Name: 1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-(1-methylsulfonylpiperidin-4-yl)urea Openeye Name: 3-[4-(1,1-dimethylbutylsulfanyl)phenyl]-1-methyl-1-(1-methylsulfonyl-4-piperidyl)urea CAS Name: 1-methyl-3-[4-(2-methylpentan-2-ylthio)phenyl]-1-(1-methylsulfonyl-4-piperidinyl)urea IUPAC Name: 1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-(1-methylsulfonylpiperidin-4-yl)urea Traditional Name: 3-[4-(1,1-dimethylbutylthio)phenyl]-1-(1-mesyl-4-piperidyl)-1-methyl-urea Formula: C20H33N3O3S2 MolecularWeight: 427.62432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C20H33N3O3S2/c1-6-13-20(2,3)27-18-9-7-16(8-10-18)21-19(24)22(4)17-11-14-23(15-12-17)28(5,25)26/h7-10,17H,6,11-15H2,1-5H3,(H,21,24)