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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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