methyl 5-(diethylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCCC3=CC=CC=C32)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCCC3=CC=CC=C32)C(=O)OC)C

InChI

InChI=1S/C22H27N3O3S2/c1-5-24(6-2)20(26)18-14(3)17(21(27)28-4)19(30-18)23-22(29)25-13-9-11-15-10-7-8-12-16(15)25/h7-8,10,12H,5-6,9,11,13H2,1-4H3,(H,23,29)