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

Systemtic Name: 3-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(4-phenylpiperazine-1-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C26H24N4O2S/c31-24(29-16-14-28(15-17-29)21-6-2-1-3-7-21)20-12-10-19(11-13-20)18-30-25(32)22-8-4-5-9-23(22)27-26(30)33/h1-13H,14-18H2,(H,27,33)