diethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-phenylbutylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(4-phenylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(4-phenylbutylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O4S2/c1-4-27-20(25)17-15(3)18(21(26)28-5-2)30-19(17)24-22(29)23-14-10-9-13-16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H2,23,24,29)