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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)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)25-12-11-15-9-7-8-10-16(15)13-25/h7-10H,5-6,11-13H2,1-4H3,(H,23,29)