1,3-bis(5-methyl-8-oxidanyl-5-phenyl-octyl)thiourea

Systemtic Name: 1,3-bis(5-methyl-8-oxidanyl-5-phenyl-octyl)thiourea Openeye Name: 1,3-bis(8-hydroxy-5-methyl-5-phenyl-octyl)thiourea CAS Name: 1,3-bis(8-hydroxy-5-methyl-5-phenyloctyl)thiourea IUPAC Name: 1,3-bis(8-hydroxy-5-methyl-5-phenyloctyl)thiourea Traditional Name: 1,3-bis(8-hydroxy-5-methyl-5-phenyl-octyl)thiourea Formula: C31H48N2O2S MolecularWeight: 512.79002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=S)NCCCCC(C)(CCCO)C1=CC=CC=C1)(CCCO)C2=CC=CC=C2

Isomeric SMILES

CC(CCCCNC(=S)NCCCCC(C)(CCCO)C1=CC=CC=C1)(CCCO)C2=CC=CC=C2

InChI

InChI=1S/C31H48N2O2S/c1-30(21-13-25-34,27-15-5-3-6-16-27)19-9-11-23-32-29(36)33-24-12-10-20-31(2,22-14-26-35)28-17-7-4-8-18-28/h3-8,15-18,34-35H,9-14,19-26H2,1-2H3,(H2,32,33,36)