N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC(C2=CSC=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H25N3O5S/c1-31-22-11-19(20(27(29)30)12-23(22)32-2)24(28)25-13-21(18-8-10-33-15-18)26-9-7-16-5-3-4-6-17(16)14-26/h3-6,8,10-12,15,21H,7,9,13-14H2,1-2H3,(H,25,28)