N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CS5)OC

InChI

InChI=1S/C25H25N3O6S/c1-31-19-10-15-7-8-28(24(22-4-3-9-35-22)17(15)12-20(19)32-2)13-23(29)27-25(30)26-16-5-6-18-21(11-16)34-14-33-18/h3-6,9-12,24H,7-8,13-14H2,1-2H3,(H2,26,27,29,30)/t24-/m0/s1