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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)C(=O)OC

InChI

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