1,3-bis(4-methyl-5-oxidanyl-4-phenyl-pentyl)thiourea

Systemtic Name: 1,3-bis(4-methyl-5-oxidanyl-4-phenyl-pentyl)thiourea Openeye Name: 1,3-bis(5-hydroxy-4-methyl-4-phenyl-pentyl)thiourea CAS Name: 1,3-bis(5-hydroxy-4-methyl-4-phenylpentyl)thiourea IUPAC Name: 1,3-bis(5-hydroxy-4-methyl-4-phenylpentyl)thiourea Traditional Name: 1,3-bis(5-hydroxy-4-methyl-4-phenyl-pentyl)thiourea Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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