(3S)-2-(3-thiophen-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(3-thiophen-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[3-(3-thienyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[1-oxo-3-(3-thiophenyl)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(3-thiophen-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[3-(3-thienyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCC3=CSC=C3)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)CCC3=CSC=C3)C(=O)N

InChI

InChI=1S/C17H18N2O2S/c18-17(21)15-9-13-3-1-2-4-14(13)10-19(15)16(20)6-5-12-7-8-22-11-12/h1-4,7-8,11,15H,5-6,9-10H2,(H2,18,21)/t15-/m0/s1