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

Systemtic Name: methyl 5-ethyl-2-[[4-(furan-2-ylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(2-furylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(2-furanylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(furan-2-ylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(2-furfuryl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CO3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CO3)C(=O)OC

InChI

InChI=1S/C18H23N3O3S2/c1-3-14-11-15(17(22)23-2)16(26-14)19-18(25)21-8-6-20(7-9-21)12-13-5-4-10-24-13/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,19,25)