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

Systemtic Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H21ClN4O2S2 MolecularWeight: 448.98934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S2/c1-11-9-16(24-25(11)10-14-5-7-15(21)8-6-14)22-20(28)23-18-17(19(26)27-4)12(2)13(3)29-18/h5-9H,10H2,1-4H3,(H2,22,23,24,28)