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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-quinolin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-(3-quinolyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-(3-quinolinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-quinolin-3-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(3-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=CC4=CC=CC=C4N=C3)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)NC1=S

InChI

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