3-(3-fluorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 3-(3-fluorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-4-oxo-2-(phenylmethylthio)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3-fluorophenyl)-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-16(2)27-23(30)18-11-12-21-22(13-18)28-25(32-15-17-7-4-3-5-8-17)29(24(21)31)20-10-6-9-19(26)14-20/h3-14,16H,15H2,1-2H3,(H,27,30)