[[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]amino]-(phenylmethylsulfanyl)methylidene]-phenethyl-prop-2-enyl-azanium

Systemtic Name: [[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]amino]-(phenylmethylsulfanyl)methylidene]-phenethyl-prop-2-enyl-azanium Openeye Name: allyl-[benzylsulfanyl-[[2-(4-bromophenyl)-2-oxo-ethyl]amino]methylene]-phenethyl-ammonium CAS Name: [[[2-(4-bromophenyl)-2-oxoethyl]amino]-(phenylmethylthio)methylidene]-phenethyl-prop-2-enylammonium IUPAC Name: [benzylsulfanyl-[[2-(4-bromophenyl)-2-oxoethyl]amino]methylidene]-phenethyl-prop-2-enylazanium Traditional Name: allyl-[(benzylthio)-[[2-(4-bromophenyl)-2-keto-ethyl]amino]methylene]-phenethyl-ammonium Formula: C27H28BrN2OS+ MolecularWeight: 508.49302

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+](=C(NCC(=O)C1=CC=C(C=C1)Br)SCC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C=CC[N+](=C(NCC(=O)C1=CC=C(C=C1)Br)SCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C27H27BrN2OS/c1-2-18-30(19-17-22-9-5-3-6-10-22)27(32-21-23-11-7-4-8-12-23)29-20-26(31)24-13-15-25(28)16-14-24/h2-16H,1,17-21H2/p+1