3-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H21ClN4O2S MolecularWeight: 476.97784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C25H21ClN4O2S/c26-18-4-3-5-20(16-18)28-12-14-29(15-13-28)23(31)17-8-10-19(11-9-17)30-24(32)21-6-1-2-7-22(21)27-25(30)33/h1-11,16H,12-15H2,(H,27,33)