4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H21N3O5S/c1-5-8-24-20(26)14-7-6-12(9-15(14)23-21(24)30)19(25)22-13-10-16(27-2)18(29-4)17(11-13)28-3/h5-7,9-11H,1,8H2,2-4H3,(H,22,25)(H,23,30)