3-[3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-(2-chloro-6-fluoro-benzyl)piperazino]-3-keto-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H22ClFN4O2S MolecularWeight: 460.952083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H22ClFN4O2S/c23-17-5-3-6-18(24)16(17)14-26-10-12-27(13-11-26)20(29)8-9-28-21(30)15-4-1-2-7-19(15)25-22(28)31/h1-7H,8-14H2,(H,25,31)