3-(4-fluorophenyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-4-oxidanylidene-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-4-oxo-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-3-(4-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H16FN3O2S MolecularWeight: 405.444743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O2S/c23-16-7-9-17(10-8-16)26-21(28)18-11-6-15(12-19(18)25-22(26)29)20(27)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,27)(H,25,29)