6,7-dimethoxy-2-methyl-4-[methylcarbamothioyl-(phenylmethyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid

Systemtic Name: 6,7-dimethoxy-2-methyl-4-[methylcarbamothioyl-(phenylmethyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid Openeye Name: 4-[benzyl(methylcarbamothioyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid CAS Name: 6,7-dimethoxy-2-methyl-4-[[methylamino(sulfanylidene)methyl]-(phenylmethyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylic acid IUPAC Name: 4-[benzyl(methylcarbamothioyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Traditional Name: 4-[benzyl(methylthiocarbamoyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)OC)N(CC3=CC=CC=C3)C(=S)NC

Isomeric SMILES

CC1CC(C2=CC(=C(C=C2N1C(=O)O)OC)OC)N(CC3=CC=CC=C3)C(=S)NC

InChI

InChI=1S/C22H27N3O4S/c1-14-10-17(24(21(30)23-2)13-15-8-6-5-7-9-15)16-11-19(28-3)20(29-4)12-18(16)25(14)22(26)27/h5-9,11-12,14,17H,10,13H2,1-4H3,(H,23,30)(H,26,27)