4a-oxidanyl-8-[oxidanyl(phenyl)methyl]-4-phenyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione

Systemtic Name: 4a-oxidanyl-8-[oxidanyl(phenyl)methyl]-4-phenyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione Openeye Name: 4a-hydroxy-8-[hydroxy(phenyl)methyl]-4-phenyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione CAS Name: 4a-hydroxy-8-[hydroxy(phenyl)methyl]-4-phenyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione IUPAC Name: 4a-hydroxy-8-[hydroxy(phenyl)methyl]-4-phenyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione Traditional Name: 4a-hydroxy-8-[hydroxy(phenyl)methyl]-4-phenyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2C(C1)(C(NC(=S)N2)C3=CC=CC=C3)O)C(C4=CC=CC=C4)O

Isomeric SMILES

C1CC(=C2C(C1)(C(NC(=S)N2)C3=CC=CC=C3)O)C(C4=CC=CC=C4)O

InChI

InChI=1S/C21H22N2O2S/c24-17(14-8-3-1-4-9-14)16-12-7-13-21(25)18(15-10-5-2-6-11-15)22-20(26)23-19(16)21/h1-6,8-11,17-18,24-25H,7,12-13H2,(H2,22,23,26)