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

Systemtic Name: ethyl 2-(dipropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(dipropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(dipropylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(dipropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(dipropylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCN(CCC)C(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H28N2O2S2/c1-4-12-23(13-5-2)21(26)22-19-18(20(24)25-6-3)15-17(27-19)14-16-10-8-7-9-11-16/h7-11,15H,4-6,12-14H2,1-3H3,(H,22,26)