3-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H26ClN4OS+ MolecularWeight: 429.98604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H25ClN4OS/c1-16-7-8-17(23)15-20(16)26-13-11-25(12-14-26)9-4-10-27-21(28)18-5-2-3-6-19(18)24-22(27)29/h2-3,5-8,15H,4,9-14H2,1H3,(H,24,29)/p+1