3-(2,3-dimethylphenyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2,3-dimethylphenyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-7-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-7-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2,3-dimethylphenyl)-7-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-7-(4-isobutyrylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C(=O)C(C)C)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C(=O)C(C)C)NC2=S)C

InChI

InChI=1S/C25H28N4O3S/c1-15(2)22(30)27-10-12-28(13-11-27)23(31)18-8-9-19-20(14-18)26-25(33)29(24(19)32)21-7-5-6-16(3)17(21)4/h5-9,14-15H,10-13H2,1-4H3,(H,26,33)