N-[[3,5-bis(fluoranyl)phenyl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[[3,5-bis(fluoranyl)phenyl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[(3,5-difluorophenyl)methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[(3,5-difluorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[(3,5-difluorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(3,5-difluorobenzyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C18H15F2N3O2S MolecularWeight: 375.392406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC(=CC(=C3)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C18H15F2N3O2S/c19-12-7-11(8-13(20)9-12)10-21-16(24)5-6-23-17(25)14-3-1-2-4-15(14)22-18(23)26/h1-4,7-9H,5-6,10H2,(H,21,24)(H,22,26)