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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl)C

InChI

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