methyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[3-(5-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[3-(5-methylpyrazol-1-yl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C18H25N5O3S2/c1-11-7-9-20-23(11)10-6-8-19-18(27)21-15-13(17(25)26-5)12(2)14(28-15)16(24)22(3)4/h7,9H,6,8,10H2,1-5H3,(H2,19,21,27)