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

Systemtic Name: 3-[[4-(4-pyridin-2-ylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(2-pyridyl)piperazine-1-carbonyl]benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C25H23N5O2S/c31-23(29-15-13-28(14-16-29)22-7-3-4-12-26-22)19-10-8-18(9-11-19)17-30-24(32)20-5-1-2-6-21(20)27-25(30)33/h1-12H,13-17H2,(H,27,33)