ethyl 2-(acetamidocarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(acetamidocarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(acetamidocarbamothioylamino)-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(acetylhydrazo)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(acetamidocarbamothioylamino)-5-benzylthiophene-3-carboxylate Traditional Name: 2-(acetamidothiocarbamoylamino)-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S2/c1-3-23-16(22)14-10-13(9-12-7-5-4-6-8-12)25-15(14)18-17(24)20-19-11(2)21/h4-8,10H,3,9H2,1-2H3,(H,19,21)(H2,18,20,24)