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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N-(2-methylpropyl)-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-chloro-4-fluoro-benzyl)thio]-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C27H25ClFN3O2S MolecularWeight: 510.022703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=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)CNC(=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/C27H25ClFN3O2S/c1-17(2)14-30-25(33)19-9-11-22-24(12-19)31-27(35-16-20-8-10-21(29)13-23(20)28)32(26(22)34)15-18-6-4-3-5-7-18/h3-13,17H,14-16H2,1-2H3,(H,30,33)