1-[4-(dimethylamino)cyclohexyl]-1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]urea

Systemtic Name: 1-[4-(dimethylamino)cyclohexyl]-1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]urea Openeye Name: 1-[4-(dimethylamino)cyclohexyl]-3-[4-(1,1-dimethylbutylsulfanyl)phenyl]-1-methyl-urea CAS Name: 1-[4-(dimethylamino)cyclohexyl]-1-methyl-3-[4-(2-methylpentan-2-ylthio)phenyl]urea IUPAC Name: 1-[4-(dimethylamino)cyclohexyl]-1-methyl-3-[4-(2-methylpentan-2-ylsulfanyl)phenyl]urea Traditional Name: 1-[4-(dimethylamino)cyclohexyl]-3-[4-(1,1-dimethylbutylthio)phenyl]-1-methyl-urea Formula: C22H37N3OS MolecularWeight: 391.61368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCC(CC2)N(C)C

Isomeric SMILES

CCCC(C)(C)SC1=CC=C(C=C1)NC(=O)N(C)C2CCC(CC2)N(C)C

InChI

InChI=1S/C22H37N3OS/c1-7-16-22(2,3)27-20-14-8-17(9-15-20)23-21(26)25(6)19-12-10-18(11-13-19)24(4)5/h8-9,14-15,18-19H,7,10-13,16H2,1-6H3,(H,23,26)