7-chloranyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-quinazolin-4-one CAS Name: 7-chloro-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-7-chloro-quinazolin-4-one Formula: C24H26ClN4O2S+ MolecularWeight: 470.00684

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O2S/c1-2-10-29-23(31)20-9-8-19(25)15-21(20)26-24(29)32-17-22(30)28-13-11-27(12-14-28)16-18-6-4-3-5-7-18/h2-9,15H,1,10-14,16-17H2/p+1