3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S)OC

InChI

InChI=1S/C22H19N3O5S/c1-28-18-8-6-14(11-19(18)29-2)25-21(27)16-7-5-13(10-17(16)24-22(25)31)20(26)23-12-15-4-3-9-30-15/h3-11H,12H2,1-2H3,(H,23,26)(H,24,31)