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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC(C)C2=CN(N=C2C)C)C(=O)OC)C3=CC=CC=C3

InChI

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