6,7-dimethoxy-N-(2-methoxyethyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-dimethoxy-N-(2-methoxyethyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-dimethoxy-N-(2-methoxyethyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-dimethoxy-N-(2-methoxyethyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-dimethoxy-N-(2-methoxyethyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-dimethoxy-N-(2-methoxyethyl)-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H27N3O6S/c1-28-11-9-23-22(32)24-10-8-15-12-20(29-2)21(30-3)13-18(15)19(24)14-31-17-6-4-16(5-7-17)25(26)27/h4-7,12-13,19H,8-11,14H2,1-3H3,(H,23,32)