2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-4-oxo-3-(phenylmethyl)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-chloro-4-fluoro-benzyl)thio]-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C26H23ClFN3O2S MolecularWeight: 495.996123

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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=C(C=C(C=C3)F)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=C(C=C3)F)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C26H23ClFN3O2S/c1-16(2)29-24(32)18-9-11-21-23(12-18)30-26(34-15-19-8-10-20(28)13-22(19)27)31(25(21)33)14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,29,32)