2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c27-15-14-24-10-12-25(13-11-24)20(28)16-30-22-23-19-9-5-4-8-18(19)21(29)26(22)17-6-2-1-3-7-17/h1-9,27H,10-16H2/p+1