1-(1-cycloheptylpiperidin-3-yl)-3-(2-methylsulfanylphenyl)urea

Systemtic Name: 1-(1-cycloheptylpiperidin-3-yl)-3-(2-methylsulfanylphenyl)urea Openeye Name: 1-(1-cycloheptyl-3-piperidyl)-3-(2-methylsulfanylphenyl)urea CAS Name: 1-(1-cycloheptyl-3-piperidinyl)-3-[2-(methylthio)phenyl]urea IUPAC Name: 1-(1-cycloheptylpiperidin-3-yl)-3-(2-methylsulfanylphenyl)urea Traditional Name: 1-(1-cycloheptyl-3-piperidyl)-3-[2-(methylthio)phenyl]urea Formula: C20H31N3OS MolecularWeight: 361.54464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)NC2CCCN(C2)C3CCCCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)NC2CCCN(C2)C3CCCCCC3

InChI

InChI=1S/C20H31N3OS/c1-25-19-13-7-6-12-18(19)22-20(24)21-16-9-8-14-23(15-16)17-10-4-2-3-5-11-17/h6-7,12-13,16-17H,2-5,8-11,14-15H2,1H3,(H2,21,22,24)