ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-propyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-propyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-5-propyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-propylthiophene-3-carboxylate Traditional Name: 4-methyl-2-(phenylthiocarbamoylamino)-5-propyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCCC1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2)C(=O)OCC)C

InChI

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