(2S)-4-azanyl-N-isoquinolin-6-yl-2-thiophen-3-yl-butanamide

Systemtic Name: (2S)-4-azanyl-N-isoquinolin-6-yl-2-thiophen-3-yl-butanamide Openeye Name: (2S)-4-amino-N-(6-isoquinolyl)-2-(3-thienyl)butanamide CAS Name: (2S)-4-amino-N-(6-isoquinolinyl)-2-(3-thiophenyl)butanamide IUPAC Name: (2S)-4-amino-N-isoquinolin-6-yl-2-thiophen-3-ylbutanamide Traditional Name: (2S)-4-amino-N-(6-isoquinolyl)-2-(3-thienyl)butyramide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C=C1NC(=O)C(CCN)C3=CSC=C3

Isomeric SMILES

C1=CC2=C(C=CN=C2)C=C1NC(=O)[C@@H](CCN)C3=CSC=C3

InChI

InChI=1S/C17H17N3OS/c18-6-3-16(14-5-8-22-11-14)17(21)20-15-2-1-13-10-19-7-4-12(13)9-15/h1-2,4-5,7-11,16H,3,6,18H2,(H,20,21)/t16-/m0/s1