methyl 3-[[2-(4-acetamidophenoxy)ethanoylamino]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-(4-acetamidophenoxy)ethanoylamino]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[[2-(4-acetamidophenoxy)acetyl]amino]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[[2-(4-acetamidophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[[2-(4-acetamidophenoxy)acetyl]amino]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[[2-(4-acetamidophenoxy)acetyl]amino]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H18N4O5S2/c1-10(22)18-11-3-5-12(6-4-11)26-9-14(23)20-21-17(27)19-13-7-8-28-15(13)16(24)25-2/h3-8H,9H2,1-2H3,(H,18,22)(H,20,23)(H2,19,21,27)