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

Systemtic Name: 3-hexyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-hexyl-2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-hexyl-2-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-hexyl-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-hexyl-2-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2S/c1-3-4-5-11-16-31-26(33)23-14-9-10-15-24(23)28-27(31)34-21(2)25(32)30-19-17-29(18-20-30)22-12-7-6-8-13-22/h6-10,12-15,21H,3-5,11,16-20H2,1-2H3