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

Systemtic Name: methyl 2-(N-acridin-9-yl-N'-propyl-carbamimidoyl)sulfanylethanoate Openeye Name: methyl 2-(N-acridin-9-yl-N'-propyl-carbamimidoyl)sulfanylacetate CAS Name: 2-[[(9-acridinylamino)-propyliminomethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(N-acridin-9-yl-N'-propylcarbamimidoyl)sulfanylacetate Traditional Name: 2-[(N-acridin-9-yl-N'-propyl-amidino)thio]acetic acid methyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(NC1=C2C=CC=CC2=NC3=CC=CC=C31)SCC(=O)OC

Isomeric SMILES

CCCN=C(NC1=C2C=CC=CC2=NC3=CC=CC=C31)SCC(=O)OC

InChI

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