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

Systemtic Name: 3-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-methyl-7-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-methyl-7-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-methyl-7-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-isobutyrylpiperazine-1-carbonyl)-3-methyl-2-thioxo-1H-quinazolin-4-one Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C

InChI

InChI=1S/C18H22N4O3S/c1-11(2)15(23)21-6-8-22(9-7-21)16(24)12-4-5-13-14(10-12)19-18(26)20(3)17(13)25/h4-5,10-11H,6-9H2,1-3H3,(H,19,26)