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

Systemtic Name: methyl 2-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorobenzyl)pyrazol-4-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=CN(N=C2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

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