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

Systemtic Name: methyl 5-phenyl-2-[[1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[[1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-benzylpyrazol-3-yl)thiocarbamoylamino]-5-phenyl-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=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

InChI

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