dimethyl 5-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[1-[(3-methoxyphenyl)methyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-m-anisylpyrazol-4-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=CC(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C21H22N4O5S2/c1-12-16(19(26)29-3)18(32-17(12)20(27)30-4)24-21(31)23-14-9-22-25(11-14)10-13-6-5-7-15(8-13)28-2/h5-9,11H,10H2,1-4H3,(H2,23,24,31)