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

Systemtic Name: N-(4-fluorophenyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-fluorophenyl)-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(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)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)F)NC2=S

InChI

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