3-(1-methoxypropan-2-yl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(1-methoxypropan-2-yl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-methoxy-1-methyl-ethyl)-2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(1-methoxypropan-2-yl)-2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(1-methoxypropan-2-yl)-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-3-(2-methoxy-1-methyl-ethyl)quinazolin-4-one Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)COC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)COC

InChI

InChI=1S/C25H30N4O5S2/c1-18-8-10-20(11-9-18)36(32,33)28-14-12-27(13-15-28)23(30)17-35-25-26-22-7-5-4-6-21(22)24(31)29(25)19(2)16-34-3/h4-11,19H,12-17H2,1-3H3