6,7-dimethoxy-N-(4-nitrophenyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-(4-nitrophenyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(4-nitrophenyl)-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(4-nitrophenyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(4-nitrophenyl)-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(4-nitrophenyl)-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C22H21N3O4S2/c1-28-18-12-14-9-10-24(22(30)23-15-5-7-16(8-6-15)25(26)27)21(20-4-3-11-31-20)17(14)13-19(18)29-2/h3-8,11-13,21H,9-10H2,1-2H3,(H,23,30)