7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-o-anisyl-2-thioxo-1H-quinazolin-4-one Formula: C27H25FN4O3S MolecularWeight: 504.575803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)NC2=S

InChI

InChI=1S/C27H25FN4O3S/c1-35-24-5-3-2-4-19(24)17-32-26(34)22-11-6-18(16-23(22)29-27(32)36)25(33)31-14-12-30(13-15-31)21-9-7-20(28)8-10-21/h2-11,16H,12-15,17H2,1H3,(H,29,36)