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

Systemtic Name: 1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)urea Openeye Name: 3-[4-(1,1-dimethylbutylsulfanyl)phenyl]-1-methyl-1-[1-(1-naphthylsulfonyl)-4-piperidyl]urea CAS Name: 1-methyl-3-[4-(2-methylpentan-2-ylthio)phenyl]-1-[1-(1-naphthalenylsulfonyl)-4-piperidinyl]urea IUPAC Name: 1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)urea Traditional Name: 3-[4-(1,1-dimethylbutylthio)phenyl]-1-methyl-1-[1-(1-naphthylsulfonyl)-4-piperidyl]urea Formula: C29H37N3O3S2 MolecularWeight: 539.75238

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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=CC4=CC=CC=C43

Isomeric SMILES

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H37N3O3S2/c1-5-19-29(2,3)36-25-15-13-23(14-16-25)30-28(33)31(4)24-17-20-32(21-18-24)37(34,35)27-12-8-10-22-9-6-7-11-26(22)27/h6-16,24H,5,17-21H2,1-4H3,(H,30,33)