methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(dimethylamino)propylcarbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(dimethylamino)propylthiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H23N3O2S2 MolecularWeight: 329.48132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCN(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCN(C)C)C(=O)OC

InChI

InChI=1S/C14H23N3O2S2/c1-5-10-9-11(13(18)19-4)12(21-10)16-14(20)15-7-6-8-17(2)3/h9H,5-8H2,1-4H3,(H2,15,16,20)