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

Systemtic Name: 3-methyl-7-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-benzoylpiperazine-1-carbonyl)-3-methyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-benzoyl-1-piperazinyl)-oxomethyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-benzoylpiperazine-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-benzoylpiperazine-1-carbonyl)-3-methyl-2-thioxo-1H-quinazolin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)NC1=S

InChI

InChI=1S/C21H20N4O3S/c1-23-20(28)16-8-7-15(13-17(16)22-21(23)29)19(27)25-11-9-24(10-12-25)18(26)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,22,29)