3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]phenyl]-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)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

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