N-(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-(1-acetyl-2-methyl-indolin-5-yl)-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-(1-acetyl-2-methyl-indolin-5-yl)-2-(1-isoquinolylthio)acetamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1C(=O)C)C=CC(=C2)NC(=O)CSC3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC1CC2=C(N1C(=O)C)C=CC(=C2)NC(=O)CSC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-14-11-17-12-18(7-8-20(17)25(14)15(2)26)24-21(27)13-28-22-19-6-4-3-5-16(19)9-10-23-22/h3-10,12,14H,11,13H2,1-2H3,(H,24,27)