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

Systemtic Name: 1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea Openeye Name: 3-[4-(1,1-dimethylbutylsulfanyl)phenyl]-1-(1-isopropylsulfonyl-4-piperidyl)-1-methyl-urea CAS Name: 1-methyl-3-[4-(2-methylpentan-2-ylthio)phenyl]-1-(1-propan-2-ylsulfonyl-4-piperidinyl)urea IUPAC Name: 1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea Traditional Name: 3-[4-(1,1-dimethylbutylthio)phenyl]-1-(1-isopropylsulfonyl-4-piperidyl)-1-methyl-urea Formula: C22H37N3O3S2 MolecularWeight: 455.67748

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O3S2/c1-7-14-22(4,5)29-20-10-8-18(9-11-20)23-21(26)24(6)19-12-15-25(16-13-19)30(27,28)17(2)3/h8-11,17,19H,7,12-16H2,1-6H3,(H,23,26)