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

Systemtic Name: methyl 2-(N-acridin-9-yl-N'-butan-2-yl-carbamimidoyl)sulfanylethanoate Openeye Name: methyl 2-(N-acridin-9-yl-N'-sec-butyl-carbamimidoyl)sulfanylacetate CAS Name: 2-[[(9-acridinylamino)-butan-2-yliminomethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(N-acridin-9-yl-N'-butan-2-ylcarbamimidoyl)sulfanylacetate Traditional Name: 2-[(N-acridin-9-yl-N'-sec-butyl-amidino)thio]acetic acid methyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/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)