3-[7-chloranyl-4-oxidanylidene-2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[7-chloranyl-4-oxidanylidene-2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]quinazolin-3-yl]propanoic acid Openeye Name: 3-[7-chloro-4-oxo-2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[[4-[anilino(oxo)methyl]phenyl]methylthio]-7-chloro-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[7-chloro-4-oxo-2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]quinazolin-3-yl]propanoic acid Traditional Name: 3-[7-chloro-4-keto-2-[[4-(phenylcarbamoyl)benzyl]thio]quinazolin-3-yl]propionic acid Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(=O)O

InChI

InChI=1S/C25H20ClN3O4S/c26-18-10-11-20-21(14-18)28-25(29(24(20)33)13-12-22(30)31)34-15-16-6-8-17(9-7-16)23(32)27-19-4-2-1-3-5-19/h1-11,14H,12-13,15H2,(H,27,32)(H,30,31)