ethyl 2-[(furan-2-ylcarbonylamino)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(furan-2-ylcarbonylamino)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(furan-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[2-furanyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(furan-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-furoylamino)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CC=CO3

InChI

InChI=1S/C20H19N3O4S2/c1-2-26-19(25)15-12-14(11-13-7-4-3-5-8-13)29-18(15)21-20(28)23-22-17(24)16-9-6-10-27-16/h3-10,12H,2,11H2,1H3,(H,22,24)(H2,21,23,28)