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

Systemtic Name: methyl 2-(N-acridin-9-yl-N'-cyclohexyl-carbamimidoyl)sulfanylethanoate Openeye Name: methyl 2-(N-acridin-9-yl-N'-cyclohexyl-carbamimidoyl)sulfanylacetate CAS Name: 2-[[(9-acridinylamino)-cyclohexyliminomethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(N-acridin-9-yl-N'-cyclohexylcarbamimidoyl)sulfanylacetate Traditional Name: 2-[(N-acridin-9-yl-N'-cyclohexyl-amidino)thio]acetic acid methyl ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=NC1CCCCC1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

COC(=O)CSC(=NC1CCCCC1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C23H25N3O2S/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/h5-8,11-14,16H,2-4,9-10,15H2,1H3,(H,24,25,26)