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

Systemtic Name: methyl 2-(N-acridin-9-yl-N'-propan-2-yl-carbamimidoyl)sulfanylethanoate hydrobromide Openeye Name: methyl 2-(N-acridin-9-yl-N'-isopropyl-carbamimidoyl)sulfanylacetate hydrobromide CAS Name: 2-[[(9-acridinylamino)-propan-2-yliminomethyl]thio]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-(N-acridin-9-yl-N'-propan-2-ylcarbamimidoyl)sulfanylacetate hydrobromide Traditional Name: 2-[(N-acridin-9-yl-N'-isopropyl-amidino)thio]acetic acid methyl ester hydrobromide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S.BrH/c1-13(2)21-20(26-12-18(24)25-3)23-19-14-8-4-6-10-16(14)22-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3,(H,21,22,23);1H