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

Systemtic Name: 7-chloranyl-3-[3-(4-phenylpiperazin-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-chloro-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-chloro-3-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-chloro-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-chloro-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H21ClN4O2S MolecularWeight: 476.97784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

InChI

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