3-(3,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S)OC

InChI

InChI=1S/C27H26N4O4S/c1-34-23-11-9-20(17-24(23)35-2)31-26(33)21-10-8-18(16-22(21)28-27(31)36)25(32)30-14-12-29(13-15-30)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,28,36)