methyl 2-(dibutylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(dibutylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dibutylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(dibutylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dibutylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(dibutylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCN(CCCC)C(=S)NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O2S2/c1-4-6-13-23(14-7-5-2)21(26)22-19-17(20(24)25-3)15-18(27-19)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3,(H,22,26)