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

Systemtic Name: methyl 5-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[4-(1-pyrazolylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C23H20N4O2S2/c1-29-22(28)19-14-20(17-6-3-2-4-7-17)31-21(19)26-23(30)25-18-10-8-16(9-11-18)15-27-13-5-12-24-27/h2-14H,15H2,1H3,(H2,25,26,30)