N'-(3,4-dimethoxyphenyl)carbonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-(3,4-dimethoxyphenyl)carbonyl-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: 3-allyl-N'-(3,4-dimethoxybenzoyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-[(3,4-dimethoxyphenyl)-oxomethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(3,4-dimethoxybenzoyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: 3-allyl-4-keto-2-thioxo-N'-veratroyl-1H-quinazoline-7-carbohydrazide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC

InChI

InChI=1S/C21H20N4O5S/c1-4-9-25-20(28)14-7-5-12(10-15(14)22-21(25)31)18(26)23-24-19(27)13-6-8-16(29-2)17(11-13)30-3/h4-8,10-11H,1,9H2,2-3H3,(H,22,31)(H,23,26)(H,24,27)