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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-homoveratryl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=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)CCN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S)OC

InChI

InChI=1S/C29H30N4O4S/c1-36-25-11-8-20(18-26(25)37-2)12-13-33-28(35)23-10-9-21(19-24(23)30-29(33)38)27(34)32-16-14-31(15-17-32)22-6-4-3-5-7-22/h3-11,18-19H,12-17H2,1-2H3,(H,30,38)