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

Systemtic Name: methyl 2-[[4-(furan-2-ylmethyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-furylmethyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-furanylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-ylmethyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-furfuryl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CO3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CO3)C(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-12-10-14(16(21)22-2)15(25-12)18-17(24)20-7-5-19(6-8-20)11-13-4-3-9-23-13/h3-4,9-10H,5-8,11H2,1-2H3,(H,18,24)