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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=C(C(=C(S3)C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=C(C(=C(S3)C)C)C(=O)OC)C

InChI

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