methyl 2-(N-acridin-9-yl-N'-prop-2-enyl-carbamimidoyl)sulfanylethanoate hydrobromide

Systemtic Name: methyl 2-(N-acridin-9-yl-N'-prop-2-enyl-carbamimidoyl)sulfanylethanoate hydrobromide Openeye Name: methyl 2-(N-acridin-9-yl-N'-allyl-carbamimidoyl)sulfanylacetate hydrobromide CAS Name: 2-[[(9-acridinylamino)-prop-2-enyliminomethyl]thio]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-(N-acridin-9-yl-N'-prop-2-enylcarbamimidoyl)sulfanylacetate hydrobromide Traditional Name: 2-[(N-acridin-9-yl-N'-allyl-amidino)thio]acetic acid methyl ester hydrobromide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=NCC=C)NC1=C2C=CC=CC2=NC3=CC=CC=C31.Br

Isomeric SMILES

COC(=O)CSC(=NCC=C)NC1=C2C=CC=CC2=NC3=CC=CC=C31.Br

InChI

InChI=1S/C20H19N3O2S.BrH/c1-3-12-21-20(26-13-18(24)25-2)23-19-14-8-4-6-10-16(14)22-17-11-7-5-9-15(17)19;/h3-11H,1,12-13H2,2H3,(H,21,22,23);1H