1,3-bis(4-methyl-6-oxidanyl-4-phenyl-hexyl)thiourea

Systemtic Name: 1,3-bis(4-methyl-6-oxidanyl-4-phenyl-hexyl)thiourea Openeye Name: 1,3-bis(6-hydroxy-4-methyl-4-phenyl-hexyl)thiourea CAS Name: 1,3-bis(6-hydroxy-4-methyl-4-phenylhexyl)thiourea IUPAC Name: 1,3-bis(6-hydroxy-4-methyl-4-phenylhexyl)thiourea Traditional Name: 1,3-bis(6-hydroxy-4-methyl-4-phenyl-hexyl)thiourea Formula: C27H40N2O2S MolecularWeight: 456.6837

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=S)NCCCC(C)(CCO)C1=CC=CC=C1)(CCO)C2=CC=CC=C2

Isomeric SMILES

CC(CCCNC(=S)NCCCC(C)(CCO)C1=CC=CC=C1)(CCO)C2=CC=CC=C2

InChI

InChI=1S/C27H40N2O2S/c1-26(17-21-30,23-11-5-3-6-12-23)15-9-19-28-25(32)29-20-10-16-27(2,18-22-31)24-13-7-4-8-14-24/h3-8,11-14,30-31H,9-10,15-22H2,1-2H3,(H2,28,29,32)