3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(4-chlorophenyl)methyl]-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-chlorobenzyl)-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H22ClN5O2S MolecularWeight: 491.99248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN5O2S/c26-19-7-4-17(5-8-19)16-31-24(33)20-9-6-18(15-21(20)28-25(31)34)23(32)30-13-11-29(12-14-30)22-3-1-2-10-27-22/h1-10,15H,11-14,16H2,(H,28,34)