methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H29N5O3S2 MolecularWeight: 451.60596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=C(N(N=C2C)C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=C(N(N=C2C)C)C)C(=O)OC)C

InChI

InChI=1S/C20H29N5O3S2/c1-8-25(9-2)18(26)16-11(3)15(19(27)28-7)17(30-16)22-20(29)21-10-14-12(4)23-24(6)13(14)5/h8-10H2,1-7H3,(H2,21,22,29)