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

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

Systemtic Name:N-ethyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Openeye Name:N-ethyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name:N-ethyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC Name:N-ethyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Traditional Name:N-ethyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide
Formula: C21H25N3O5S
MolecularWeight: 431.5053
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H25N3O5S/c1-4-22-21(30)23-10-9-14-11-19(27-2)20(28-3)12-17(14)18(23)13-29-16-7-5-15(6-8-16)24(25)26/h5-8,11-12,18H,4,9-10,13H2,1-3H3,(H,22,30)


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