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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C)C(=O)OC

InChI

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