N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23FN4O2S MolecularWeight: 426.507023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H23FN4O2S/c1-4-10-27-21(29)17-9-8-15(12-18(17)25-22(27)30)20(28)24-13-19(26(2)3)14-6-5-7-16(23)11-14/h4-9,11-12,19H,1,10,13H2,2-3H3,(H,24,28)(H,25,30)