3-(4-methoxyphenyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-4aH-quinazolin-4-one

Systemtic Name: 3-(4-methoxyphenyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-4aH-quinazolin-4-one Openeye Name: 3-(4-methoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-4aH-quinazolin-4-one CAS Name: 3-(4-methoxyphenyl)-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-4aH-quinazolin-4-one IUPAC Name: 3-(4-methoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-4aH-quinazolin-4-one Traditional Name: 3-(4-methoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-4aH-quinazolin-4-one Formula: C26H24N4O3S MolecularWeight: 472.55876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3C=CC(=CC3=NC2=S)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3C=CC(=CC3=NC2=S)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c1-33-21-10-8-20(9-11-21)30-25(32)22-12-7-18(17-23(22)27-26(30)34)24(31)29-15-13-28(14-16-29)19-5-3-2-4-6-19/h2-12,17,22H,13-16H2,1H3