N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-(3-pyridylmethylamino)ethyl]thiophene-2-carboxamide CAS Name: N-[3-(1H-indol-3-yl)-1-oxo-1-(3-pyridinylmethylamino)propan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(1H-indol-3-yl)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide Traditional Name: N-[1-(1H-indol-3-ylmethyl)-2-keto-2-(3-pyridylmethylamino)ethyl]thiophene-2-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O2S/c27-21(25-13-15-5-3-9-23-12-15)19(26-22(28)20-8-4-10-29-20)11-16-14-24-18-7-2-1-6-17(16)18/h1-10,12,14,19,24H,11,13H2,(H,25,27)(H,26,28)