N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C23H31N3O4S2/c1-6-26(7-2)32(27,28)19-9-8-16(3)20(14-19)24-23(31)25-11-10-17-12-21(29-4)22(30-5)13-18(17)15-25/h8-9,12-14H,6-7,10-11,15H2,1-5H3,(H,24,31)