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

Systemtic Name: 2-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]sulfanyl-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]thio]-3-cyclopropyl-quinazolin-4-one Formula: C22H24ClN4O2S2+ MolecularWeight: 476.03456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC[NH+](CC4)CC5=CC=C(S5)Cl

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC[NH+](CC4)CC5=CC=C(S5)Cl

InChI

InChI=1S/C22H23ClN4O2S2/c23-19-8-7-16(31-19)13-25-9-11-26(12-10-25)20(28)14-30-22-24-18-4-2-1-3-17(18)21(29)27(22)15-5-6-15/h1-4,7-8,15H,5-6,9-14H2/p+1