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

Systemtic Name: 1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-[1-(phenylsulfonyl)piperidin-4-yl]urea Openeye Name: 1-[1-(benzenesulfonyl)-4-piperidyl]-3-[4-(1,1-dimethylbutylsulfanyl)phenyl]-1-methyl-urea CAS Name: 1-[1-(benzenesulfonyl)-4-piperidinyl]-1-methyl-3-[4-(2-methylpentan-2-ylthio)phenyl]urea IUPAC Name: 1-[1-(benzenesulfonyl)piperidin-4-yl]-1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]urea Traditional Name: 1-(1-besyl-4-piperidyl)-3-[4-(1,1-dimethylbutylthio)phenyl]-1-methyl-urea Formula: C25H35N3O3S2 MolecularWeight: 489.6937

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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)C3=CC=CC=C3

Isomeric SMILES

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O3S2/c1-5-17-25(2,3)32-22-13-11-20(12-14-22)26-24(29)27(4)21-15-18-28(19-16-21)33(30,31)23-9-7-6-8-10-23/h6-14,21H,5,15-19H2,1-4H3,(H,26,29)