3-cyclopropyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclopropyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-cyclopropyl-2-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-cyclopropyl-2-[[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-cyclopropyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-cyclopropyl-2-[[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]thio]quinazolin-4-one Formula: C28H29N4O2S+ MolecularWeight: 485.62046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC[NH+](CC4)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CC[NH+](CC4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H28N4O2S/c33-26(19-35-28-29-25-11-4-3-10-24(25)27(34)32(28)22-12-13-22)31-16-14-30(15-17-31)18-21-8-5-7-20-6-1-2-9-23(20)21/h1-11,22H,12-19H2/p+1