methyl 5-ethyl-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-isopropylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(p-cumenylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(C)C)C(=O)OC

InChI

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