3-(3,3-diethoxypropyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,3-diethoxypropyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,3-diethoxypropyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,3-diethoxypropyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,3-diethoxypropyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,3-diethoxypropyl)-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C27H34N4O4S/c1-3-34-25(35-4-2)14-15-31-26(33)22-12-8-9-13-23(22)28-27(31)36-20-24(32)30-18-16-29(17-19-30)21-10-6-5-7-11-21/h5-13,25H,3-4,14-20H2,1-2H3