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

Systemtic Name: methyl 5-ethyl-2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(furan-2-carbonyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(2-furoyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)OC

InChI

InChI=1S/C18H21N3O4S2/c1-3-12-11-13(17(23)24-2)15(27-12)19-18(26)21-8-6-20(7-9-21)16(22)14-5-4-10-25-14/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,26)