6,7-dimethoxy-2-sulfanylidene-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-quinazolin-4-one; ethanoic acid

Systemtic Name: 6,7-dimethoxy-2-sulfanylidene-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-quinazolin-4-one; ethanoic acid Openeye Name: acetic acid; 6,7-dimethoxy-3-(2,2,6,6-tetramethyl-4-piperidyl)-2-thioxo-1H-quinazolin-4-one CAS Name: acetic acid; 6,7-dimethoxy-2-sulfanylidene-3-(2,2,6,6-tetramethyl-4-piperidinyl)-1H-quinazolin-4-one IUPAC Name: acetic acid; 6,7-dimethoxy-2-sulfanylidene-3-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-quinazolin-4-one Traditional Name: acetic acid; 6,7-dimethoxy-3-(2,2,6,6-tetramethyl-4-piperidyl)-2-thioxo-1H-quinazolin-4-one Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC1(CC(CC(N1)(C)C)N2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)C

Isomeric SMILES

CC(=O)O.CC1(CC(CC(N1)(C)C)N2C(=O)C3=CC(=C(C=C3NC2=S)OC)OC)C

InChI

InChI=1S/C19H27N3O3S.C2H4O2/c1-18(2)9-11(10-19(3,4)21-18)22-16(23)12-7-14(24-5)15(25-6)8-13(12)20-17(22)26;1-2(3)4/h7-8,11,21H,9-10H2,1-6H3,(H,20,26);1H3,(H,3,4)