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

Systemtic Name: ethyl 2-(pentylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(pentylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(pentylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S2/c1-3-5-9-12-21-20(25)22-18-17(19(23)24-4-2)14-16(26-18)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H2,21,22,25)