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

Systemtic Name: diethyl 3-methyl-5-(3-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(3-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(3-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(3-phenylpropylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S2/c1-4-26-19(24)16-14(3)17(20(25)27-5-2)29-18(16)23-21(28)22-13-9-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H2,22,23,28)