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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)OC

InChI

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