methyl 2-(N-acridin-9-yl-N'-tert-butyl-carbamimidoyl)sulfanylethanoate hydrobromide

Systemtic Name: methyl 2-(N-acridin-9-yl-N'-tert-butyl-carbamimidoyl)sulfanylethanoate hydrobromide Openeye Name: methyl 2-(N-acridin-9-yl-N'-tert-butyl-carbamimidoyl)sulfanylacetate hydrobromide CAS Name: 2-[[(9-acridinylamino)-tert-butyliminomethyl]thio]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-(N-acridin-9-yl-N'-tert-butylcarbamimidoyl)sulfanylacetate hydrobromide Traditional Name: 2-[(N-acridin-9-yl-N'-tert-butyl-amidino)thio]acetic acid methyl ester hydrobromide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=C2C=CC=CC2=NC3=CC=CC=C31)SCC(=O)OC.Br

Isomeric SMILES

CC(C)(C)N=C(NC1=C2C=CC=CC2=NC3=CC=CC=C31)SCC(=O)OC.Br

InChI

InChI=1S/C21H23N3O2S.BrH/c1-21(2,3)24-20(27-13-18(25)26-4)23-19-14-9-5-7-11-16(14)22-17-12-8-6-10-15(17)19;/h5-12H,13H2,1-4H3,(H,22,23,24);1H