3-(2-methylphenyl)-2-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-[[(2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[(1R)-2-keto-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H26N4O2S/c1-16-8-4-7-11-20(16)27-22(29)18-9-5-6-10-19(18)24-23(27)30-17(2)21(28)26-14-12-25(3)13-15-26/h4-11,17H,12-15H2,1-3H3/p+1/t17-/m1/s1