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

Systemtic Name: methyl 4-ethyl-2-[[4-(furan-2-ylmethyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[4-(2-furylmethyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-(2-furanylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[4-(furan-2-ylmethyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[4-(2-furfuryl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC=CO3)C

InChI

InChI=1S/C19H25N3O3S2/c1-4-15-13(2)27-17(16(15)18(23)24-3)20-19(26)22-9-7-21(8-10-22)12-14-6-5-11-25-14/h5-6,11H,4,7-10,12H2,1-3H3,(H,20,26)