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

Systemtic Name: methyl 5-(phenylmethyl)-2-[[1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-benzylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[[1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1-benzylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-benzylpyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S2/c1-30-23(29)20-15-19(14-17-8-4-2-5-9-17)32-22(20)26-24(31)25-21-12-13-28(27-21)16-18-10-6-3-7-11-18/h2-13,15H,14,16H2,1H3,(H2,25,26,27,31)