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

Systemtic Name: N-cyclohexyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-cyclohexyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-cyclohexyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-cyclohexyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-cyclohexyl-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)COC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H31N3O5S/c1-31-23-14-17-12-13-27(25(34)26-18-6-4-3-5-7-18)22(21(17)15-24(23)32-2)16-33-20-10-8-19(9-11-20)28(29)30/h8-11,14-15,18,22H,3-7,12-13,16H2,1-2H3,(H,26,34)