ethyl 2-(pentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(pentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(pentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(pentylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(pentylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCNC(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H24N2O2S2/c1-3-5-9-12-20-19(24)21-17-15(18(22)23-4-2)13-16(25-17)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H2,20,21,24)