methyl 5-(diethylcarbamoyl)-2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC)C

InChI

InChI=1S/C22H28N4O5S2/c1-5-24(6-2)20(28)17-14(3)16(21(29)30-4)18(33-17)23-22(32)26-11-9-25(10-12-26)19(27)15-8-7-13-31-15/h7-8,13H,5-6,9-12H2,1-4H3,(H,23,32)