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

Systemtic Name: N-[1-(N'-cyanocarbamimidoyl)-2,3-dihydroindol-6-yl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[1-(N'-cyanocarbamimidoyl)indolin-6-yl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[1-[amino(cyanoimino)methyl]-2,3-dihydroindol-6-yl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[1-(N'-cyanocarbamimidoyl)-2,3-dihydroindol-6-yl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[1-(N'-cyanoamidino)indolin-6-yl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C25H21N7OS MolecularWeight: 467.54554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=CC(=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)C(=NC#N)N

Isomeric SMILES

C1CN(C2=C1C=CC(=C2)NC(=O)C3=C(C=CS3)NCC4=CC=NC5=CC=CC=C45)C(=NC#N)N

InChI

InChI=1S/C25H21N7OS/c26-15-30-25(27)32-11-8-16-5-6-18(13-22(16)32)31-24(33)23-21(9-12-34-23)29-14-17-7-10-28-20-4-2-1-3-19(17)20/h1-7,9-10,12-13,29H,8,11,14H2,(H2,27,30)(H,31,33)