methyl 2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e][1]benzothiole-5-carboxylate

Systemtic Name: methyl 2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e][1]benzothiole-5-carboxylate Openeye Name: methyl 2-[6-(N'-isopropylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e]benzothiophene-5-carboxylate CAS Name: 2-[6-[amino(propan-2-ylimino)methyl]-1H-benzimidazol-2-yl]-5-benzo[e][1]benzothiolecarboxylic acid methyl ester IUPAC Name: methyl 2-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzo[e][1]benzothiole-5-carboxylate Traditional Name: 2-[6-(N'-isopropylamidino)-1H-benzimidazol-2-yl]benzo[e]benzothiophene-5-carboxylic acid methyl ester Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC4=C(S3)C=C(C5=CC=CC=C54)C(=O)OC)N

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC4=C(S3)C=C(C5=CC=CC=C54)C(=O)OC)N

InChI

InChI=1S/C25H22N4O2S/c1-13(2)27-23(26)14-8-9-19-20(10-14)29-24(28-19)22-11-17-15-6-4-5-7-16(15)18(25(30)31-3)12-21(17)32-22/h4-13H,1-3H3,(H2,26,27)(H,28,29)