4-oxidanylidene-3-prop-2-enyl-N-quinolin-8-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-quinolin-8-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-(8-quinolyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-(8-quinolinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-quinolin-8-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(8-quinolyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC4=C3N=CC=C4)NC1=S

InChI

InChI=1S/C21H16N4O2S/c1-2-11-25-20(27)15-9-8-14(12-17(15)24-21(25)28)19(26)23-16-7-3-5-13-6-4-10-22-18(13)16/h2-10,12H,1,11H2,(H,23,26)(H,24,28)