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

Systemtic Name: methyl 2-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C)C(C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N4O2S2/c1-12(16-11-21-24(3)13(16)2)22-20(27)23-18-15(19(25)26-4)10-17(28-18)14-8-6-5-7-9-14/h5-12H,1-4H3,(H2,22,23,27)