N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Traditional Name: N-homoveratryl-5-keto-2-methyl-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)N=C2S1

Isomeric SMILES

CC1=NN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CC(=C(C=C4)OC)OC)N=C2S1

InChI

InChI=1S/C21H20N4O4S/c1-12-24-25-20(27)15-6-5-14(11-16(15)23-21(25)30-12)19(26)22-9-8-13-4-7-17(28-2)18(10-13)29-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,26)