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

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea Openeye Name: 1-[[1-[(3-chlorophenyl)methyl]-4-piperidyl]methyl]-3-(3-methylsulfanylphenyl)urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-4-piperidinyl]methyl]-3-[3-(methylthio)phenyl]urea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea Traditional Name: 1-[[1-(3-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(=CC=C3)Cl

Isomeric SMILES

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

InChI

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