1,3-bis[2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]ethyl]thiourea

Systemtic Name: 1,3-bis[2-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]ethyl]thiourea Openeye Name: 1,3-bis[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]thiourea CAS Name: 1,3-bis[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]thiourea IUPAC Name: 1,3-bis[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]thiourea Traditional Name: 1,3-bis[2-(4-hydroxy-3,5-dimethylol-phenyl)ethyl]thiourea Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CO)O)CO)CCNC(=S)NCCC2=CC(=C(C(=C2)CO)O)CO

Isomeric SMILES

C1=C(C=C(C(=C1CO)O)CO)CCNC(=S)NCCC2=CC(=C(C(=C2)CO)O)CO

InChI

InChI=1S/C21H28N2O6S/c24-9-15-5-13(6-16(10-25)19(15)28)1-3-22-21(30)23-4-2-14-7-17(11-26)20(29)18(8-14)12-27/h5-8,24-29H,1-4,9-12H2,(H2,22,23,30)