ethyl 2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,5-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[1-(1,5-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C3=C(N(N=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(C)C3=C(N(N=C3)C)C

InChI

InChI=1S/C21H24N4O2S2/c1-5-27-20(26)16-11-18(15-9-7-6-8-10-15)29-19(16)24-21(28)23-13(2)17-12-22-25(4)14(17)3/h6-13H,5H2,1-4H3,(H2,23,24,28)