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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(4-chlorobenzyl)-2-thioxo-1H-quinazolin-4-one Formula: C28H25ClN4O3S MolecularWeight: 533.0411

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H25ClN4O3S/c1-18(34)20-4-9-23(10-5-20)31-12-14-32(15-13-31)26(35)21-6-11-24-25(16-21)30-28(37)33(27(24)36)17-19-2-7-22(29)8-3-19/h2-11,16H,12-15,17H2,1H3,(H,30,37)