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

Systemtic Name: 3-hexyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-hexyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-hexyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-hexyl-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-2-3-4-10-15-30-25(32)22-13-8-9-14-23(22)27-26(30)33-20-24(31)29-18-16-28(17-19-29)21-11-6-5-7-12-21/h5-9,11-14H,2-4,10,15-20H2,1H3