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

Systemtic Name: ethyl 2-(formamidocarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(formamidocarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(formylhydrazo)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(formamidocarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(formamidothiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S2/c1-2-22-15(21)13-9-12(8-11-6-4-3-5-7-11)24-14(13)18-16(23)19-17-10-20/h3-7,9-10H,2,8H2,1H3,(H,17,20)(H2,18,19,23)