N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-4-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-4-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-4-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-4-nitrothiophene-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=C(S1)C)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)C1=CC(=C(S1)C)[N+](=O)[O-])N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H23N3O3S/c1-3-16(21-9-8-14-6-4-5-7-15(14)12-21)11-20-19(23)18-10-17(22(24)25)13(2)26-18/h4-7,10,16H,3,8-9,11-12H2,1-2H3,(H,20,23)