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

Systemtic Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chlorobenzyl)pyrazol-4-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H21ClN4O2S2 MolecularWeight: 497.03214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H21ClN4O2S2/c1-15-20(16-8-4-3-5-9-16)21(23(30)31-2)22(33-15)28-24(32)27-18-12-26-29(14-18)13-17-10-6-7-11-19(17)25/h3-12,14H,13H2,1-2H3,(H2,27,28,32)