1,3-bis(3-methyl-5-oxidanyl-3-phenyl-pentyl)thiourea

Systemtic Name: 1,3-bis(3-methyl-5-oxidanyl-3-phenyl-pentyl)thiourea Openeye Name: 1,3-bis(5-hydroxy-3-methyl-3-phenyl-pentyl)thiourea CAS Name: 1,3-bis(5-hydroxy-3-methyl-3-phenylpentyl)thiourea IUPAC Name: 1,3-bis(5-hydroxy-3-methyl-3-phenylpentyl)thiourea Traditional Name: 1,3-bis(5-hydroxy-3-methyl-3-phenyl-pentyl)thiourea Formula: C25H36N2O2S MolecularWeight: 428.63054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=S)NCCC(C)(CCO)C1=CC=CC=C1)(CCO)C2=CC=CC=C2

Isomeric SMILES

CC(CCNC(=S)NCCC(C)(CCO)C1=CC=CC=C1)(CCO)C2=CC=CC=C2

InChI

InChI=1S/C25H36N2O2S/c1-24(15-19-28,21-9-5-3-6-10-21)13-17-26-23(30)27-18-14-25(2,16-20-29)22-11-7-4-8-12-22/h3-12,28-29H,13-20H2,1-2H3,(H2,26,27,30)