4-[2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-6-thiophen-2-yl-1,3-diazinane-2-thione

Systemtic Name: 4-[2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-6-thiophen-2-yl-1,3-diazinane-2-thione Openeye Name: 4-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-6-(2-thienyl)hexahydropyrimidine-2-thione CAS Name: 4-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-6-thiophen-2-yl-1,3-diazinane-2-thione IUPAC Name: 4-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-6-thiophen-2-yl-1,3-diazinane-2-thione Traditional Name: 4-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-6-(2-thienyl)hexahydropyrimidine-2-thione Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC(NC(=S)N2)C3=CC=CS3)C4=C(C=C(C=C4)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC(NC(=S)N2)C3=CC=CS3)C4=C(C=C(C=C4)O)O

InChI

InChI=1S/C21H20N2O3S2/c1-26-15-7-4-13(5-8-15)21(16-9-6-14(24)11-18(16)25)12-17(22-20(27)23-21)19-3-2-10-28-19/h2-11,17,24-25H,12H2,1H3,(H2,22,23,27)