1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(1-piperidylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(1-piperidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[2-(piperidinomethyl)benzyl]thiourea Formula: C22H28ClN3S MolecularWeight: 401.99582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC=CC=C2CN3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC=CC=C2CN3CCCCC3)C

InChI

InChI=1S/C22H28ClN3S/c1-16-12-17(2)21(20(23)13-16)25-22(27)24-14-18-8-4-5-9-19(18)15-26-10-6-3-7-11-26/h4-5,8-9,12-13H,3,6-7,10-11,14-15H2,1-2H3,(H2,24,25,27)