N-(1-oxidanylidene-2H-isoquinolin-3-yl)-4-thiophen-2-yl-butanamide

Systemtic Name: N-(1-oxidanylidene-2H-isoquinolin-3-yl)-4-thiophen-2-yl-butanamide Openeye Name: N-(1-oxo-2H-isoquinolin-3-yl)-4-(2-thienyl)butanamide CAS Name: N-(1-oxo-2H-isoquinolin-3-yl)-4-thiophen-2-ylbutanamide IUPAC Name: N-(1-oxo-2H-isoquinolin-3-yl)-4-thiophen-2-ylbutanamide Traditional Name: N-(1-keto-2H-isoquinolin-3-yl)-4-(2-thienyl)butyramide Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C17H16N2O2S/c20-16(9-3-6-13-7-4-10-22-13)18-15-11-12-5-1-2-8-14(12)17(21)19-15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H2,18,19,20,21)