ethyl 2-(pentan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(pentan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1-methylbutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(pentan-2-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(pentan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(1-methylbutylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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