N-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3-fluoro-4-methyl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-(3-fluoro-4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3-fluoro-4-methyl-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H18FN3O2S MolecularWeight: 419.471323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4)F

InChI

InChI=1S/C23H18FN3O2S/c1-14-7-9-17(12-19(14)24)25-21(28)16-8-10-18-20(11-16)26-23(30)27(22(18)29)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,28)(H,26,30)