2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]quinazolin-4-one Formula: C22H34N4O2S+2 MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C22H32N4O2S/c1-22(2,3)19(27)16-29-21-23-18-9-6-5-8-17(18)20(28)26(21)11-7-10-25-14-12-24(4)13-15-25/h5-6,8-9H,7,10-16H2,1-4H3/p+2