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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3,4-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)OC)OC)NC1=S

InChI

InChI=1S/C22H25N3O4S/c1-4-5-6-11-25-21(27)16-9-7-14(12-17(16)24-22(25)30)20(26)23-15-8-10-18(28-2)19(13-15)29-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26)(H,24,30)