7-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(2-chloro-6-fluoro-benzyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H22ClFN4O2S MolecularWeight: 472.962783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC=C4Cl)F)NC1=S

InChI

InChI=1S/C23H22ClFN4O2S/c1-2-8-29-22(31)16-7-6-15(13-20(16)26-23(29)32)21(30)28-11-9-27(10-12-28)14-17-18(24)4-3-5-19(17)25/h2-7,13H,1,8-12,14H2,(H,26,32)