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

Systemtic Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(2-chlorophenyl)methyl]-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(2-chlorobenzyl)pyrazol-3-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H19ClN4O2S2 MolecularWeight: 483.00556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H19ClN4O2S2/c1-30-22(29)17-13-19(15-7-3-2-4-8-15)32-21(17)26-23(31)25-20-11-12-28(27-20)14-16-9-5-6-10-18(16)24/h2-13H,14H2,1H3,(H2,25,26,27,31)