1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea

Systemtic Name: 1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-(3-methylsulfanylphenyl)-3-[[1-(m-tolylmethyl)-4-piperidyl]methyl]urea CAS Name: 1-[[1-[(3-methylphenyl)methyl]-4-piperidinyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[[1-(3-methylbenzyl)-4-piperidyl]methyl]-3-[3-(methylthio)phenyl]urea Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H29N3OS/c1-17-5-3-6-19(13-17)16-25-11-9-18(10-12-25)15-23-22(26)24-20-7-4-8-21(14-20)27-2/h3-8,13-14,18H,9-12,15-16H2,1-2H3,(H2,23,24,26)