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

Systemtic Name: methyl 4,5-dimethyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(1-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(1-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-5-14(13-9-7-6-8-10-13)19-18(23)20-16-15(17(21)22-4)11(2)12(3)24-16/h6-10,14H,5H2,1-4H3,(H2,19,20,23)