3-butyl-2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]thio]quinazolin-4-one Formula: C23H28ClN4O2S2+ MolecularWeight: 492.07702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C23H27ClN4O2S2/c1-2-3-10-28-22(30)18-6-4-5-7-19(18)25-23(28)31-16-21(29)27-13-11-26(12-14-27)15-17-8-9-20(24)32-17/h4-9H,2-3,10-16H2,1H3/p+1