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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(1-benzylpyrazol-3-yl)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C23H27N5O3S2/c1-5-27(6-2)21(29)19-15(3)18(22(30)31-4)20(33-19)25-23(32)24-17-12-13-28(26-17)14-16-10-8-7-9-11-16/h7-13H,5-6,14H2,1-4H3,(H2,24,25,26,32)