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

Systemtic Name: 3-methyl-7-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-(4-benzoylpiperazine-1-carbonyl)-3-methyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[(4-benzoyl-1-piperazinyl)-oxomethyl]-3-methyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(4-benzoylpiperazine-1-carbonyl)-3-methyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-(4-benzoylpiperazine-1-carbonyl)-3-methyl-2-thioxo-quinazolin-4-olate Formula: C21H19N4O3S- MolecularWeight: 407.46556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)[O-]

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/h2-8,13,28H,9-12H2,1H3/p-1