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

Systemtic Name: methyl 2-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H26N4O2S2 MolecularWeight: 394.55464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(CN2C=CC=N2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H26N4O2S2/c1-6-12-10-13(16(23)24-5)15(26-12)21-17(25)20-14(18(2,3)4)11-22-9-7-8-19-22/h7-10,14H,6,11H2,1-5H3,(H2,20,21,25)