2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one Openeye Name: 2-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-methyl-benzo[g]quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-3-methyl-4-benzo[g]quinazolinone IUPAC Name: 2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-methylbenzo[g]quinazolin-4-one Traditional Name: 2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-methyl-benzo[g]quinazolin-4-one Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C22H26N4O2S/c1-4-25-9-11-26(12-10-25)20(27)15(2)29-22-23-19-14-17-8-6-5-7-16(17)13-18(19)21(28)24(22)3/h5-8,13-15H,4,9-12H2,1-3H3/p+1/t15-/m0/s1