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

Systemtic Name: dimethyl 5-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(CN2C=CC=N2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(CN2C=CC=N2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C19H26N4O4S2/c1-11-13(16(24)26-5)15(29-14(11)17(25)27-6)22-18(28)21-12(19(2,3)4)10-23-9-7-8-20-23/h7-9,12H,10H2,1-6H3,(H2,21,22,28)