N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C18H15ClFN3O2S MolecularWeight: 391.847003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H15ClFN3O2S/c19-13-10-11(7-8-14(13)20)21-16(24)6-3-9-23-17(25)12-4-1-2-5-15(12)22-18(23)26/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,24)(H,22,26)