3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-p-anisyl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S

InChI

InChI=1S/C27H26N4O3S/c1-34-22-10-7-19(8-11-22)18-31-26(33)23-12-9-20(17-24(23)28-27(31)35)25(32)30-15-13-29(14-16-30)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3,(H,28,35)