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

Systemtic Name: 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[[1-(4-chlorobenzyl)-4-piperidyl]methyl]-3-[3-(methylthio)phenyl]urea Formula: C21H26ClN3OS MolecularWeight: 403.96864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-27-20-4-2-3-19(13-20)24-21(26)23-14-16-9-11-25(12-10-16)15-17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,23,24,26)