methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diethylamino)anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(diethylamino)phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(diethylamino)phenyl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)N(CC)CC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)N(CC)CC)C

InChI

InChI=1S/C20H27N3O2S2/c1-6-16-13(4)27-18(17(16)19(24)25-5)22-20(26)21-14-9-11-15(12-10-14)23(7-2)8-3/h9-12H,6-8H2,1-5H3,(H2,21,22,26)