3-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H22N5O2S+ MolecularWeight: 444.52878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C24H21N5O2S/c30-22(28-15-13-27(14-16-28)21-7-3-4-12-25-21)17-8-10-18(11-9-17)29-23(31)19-5-1-2-6-20(19)26-24(29)32/h1-12H,13-16H2,(H,26,32)/p+1