methyl 2-(furan-2-ylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-furylmethylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(furan-2-ylmethylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-furfurylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C18H16N2O3S2/c1-22-17(21)14-10-15(12-6-3-2-4-7-12)25-16(14)20-18(24)19-11-13-8-5-9-23-13/h2-10H,11H2,1H3,(H2,19,20,24)