N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H16N4O4S2 MolecularWeight: 464.51684

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5)NC1=S

InChI

InChI=1S/C22H16N4O4S2/c1-2-7-26-20(28)14-5-3-13(8-15(14)24-22(26)31)19(27)25-21-23-16(10-32-21)12-4-6-17-18(9-12)30-11-29-17/h2-6,8-10H,1,7,11H2,(H,24,31)(H,23,25,27)