methyl 2-[N-acridin-9-yl-N'-(phenylmethyl)carbamimidoyl]sulfanylethanoate

Systemtic Name: methyl 2-[N-acridin-9-yl-N'-(phenylmethyl)carbamimidoyl]sulfanylethanoate Openeye Name: methyl 2-(N-acridin-9-yl-N'-benzyl-carbamimidoyl)sulfanylacetate CAS Name: 2-[[(9-acridinylamino)-(phenylmethyl)iminomethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(N-acridin-9-yl-N'-benzylcarbamimidoyl)sulfanylacetate Traditional Name: 2-[(N-acridin-9-yl-N'-benzyl-amidino)thio]acetic acid methyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=NCC1=CC=CC=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

Isomeric SMILES

COC(=O)CSC(=NCC1=CC=CC=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C24H21N3O2S/c1-29-22(28)16-30-24(25-15-17-9-3-2-4-10-17)27-23-18-11-5-7-13-20(18)26-21-14-8-6-12-19(21)23/h2-14H,15-16H2,1H3,(H,25,26,27)