2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-nitro-phenyl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-nitro-phenyl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitro-phenyl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-nitrophenyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitrophenyl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-nitro-phenyl]thio]-N,N-diethyl-acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CSC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4S/c1-3-23(4-2)21(26)15-30-20-10-9-17(13-19(20)25(28)29)22(27)24-12-11-16-7-5-6-8-18(16)14-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3