dimethyl 3-methyl-5-(1-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(1-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(1-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(1-phenylpropylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-phenylpropylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C19H22N2O4S2/c1-5-13(12-9-7-6-8-10-12)20-19(26)21-16-14(17(22)24-3)11(2)15(27-16)18(23)25-4/h6-10,13H,5H2,1-4H3,(H2,20,21,26)