N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H20FN5O2S MolecularWeight: 449.500603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C23H20FN5O2S/c1-3-11-29-22(31)17-9-6-15(13-18(17)26-23(29)32)21(30)27-19(20-25-10-12-28(20)2)14-4-7-16(24)8-5-14/h3-10,12-13,19H,1,11H2,2H3,(H,26,32)(H,27,30)