1-methyl-1-[(4-methylsulfanylphenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-methyl-1-[(4-methylsulfanylphenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-methyl-1-[(4-methylsulfanylphenyl)methyl]-3-[[2-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-methyl-1-[[4-(methylthio)phenyl]methyl]-3-[[2-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-methyl-1-[(4-methylsulfanylphenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-methyl-1-[4-(methylthio)benzyl]-3-(2-piperidinosulfonylbenzyl)urea Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H29N3O3S2/c1-24(17-18-10-12-20(29-2)13-11-18)22(26)23-16-19-8-4-5-9-21(19)30(27,28)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,23,26)