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

Systemtic Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19ClN4O2S2 MolecularWeight: 434.96276

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O2S2/c1-11-8-16(23-24(11)10-13-4-6-14(20)7-5-13)21-19(27)22-17-15(18(25)26-3)9-12(2)28-17/h4-9H,10H2,1-3H3,(H2,21,22,23,27)