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

Systemtic Name: methyl 2-(N'-acridin-9-yl-N-phenyl-carbamimidoyl)sulfanylethanoate hydrobromide Openeye Name: methyl 2-(N'-acridin-9-yl-N-phenyl-carbamimidoyl)sulfanylacetate hydrobromide CAS Name: 2-[[9-acridinylimino(anilino)methyl]thio]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-(N'-acridin-9-yl-N-phenylcarbamimidoyl)sulfanylacetate hydrobromide Traditional Name: 2-[(N'-acridin-9-yl-N-phenyl-amidino)thio]acetic acid methyl ester hydrobromide Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)NC4=CC=CC=C4.Br

Isomeric SMILES

COC(=O)CSC(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)NC4=CC=CC=C4.Br

InChI

InChI=1S/C23H19N3O2S.BrH/c1-28-21(27)15-29-23(24-16-9-3-2-4-10-16)26-22-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)22;/h2-14H,15H2,1H3,(H,24,25,26);1H