2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-N-isopropyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-3-phenethyl-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-N-isopropyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C27H25ClFN3O2S MolecularWeight: 510.022703

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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=CC=C3Cl)F)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCC4=CC=CC=C4

InChI

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