N-[1-(N-cyano-N'-methyl-carbamimidoyl)-2,3-dihydroindol-6-yl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[1-(N-cyano-N'-methyl-carbamimidoyl)-2,3-dihydroindol-6-yl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[1-(N-cyano-N'-methyl-carbamimidoyl)indolin-6-yl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[1-[(cyanoamino)-methyliminomethyl]-2,3-dihydroindol-6-yl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[1-(N-cyano-N'-methylcarbamimidoyl)-2,3-dihydroindol-6-yl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[1-(N-cyano-N'-methyl-amidino)indolin-6-yl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C26H23N7OS MolecularWeight: 481.57212

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)N1CCC2=C1C=C(C=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45

Isomeric SMILES

CN=C(NC#N)N1CCC2=C1C=C(C=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C26H23N7OS/c1-28-26(31-16-27)33-12-9-17-6-7-19(14-23(17)33)32-25(34)24-22(10-13-35-24)30-15-18-8-11-29-21-5-3-2-4-20(18)21/h2-8,10-11,13-14,30H,9,12,15H2,1H3,(H,28,31)(H,32,34)