ethyl 4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[methyl-[(1,3,5-trimethyl-4-pyrazolyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C)C

InChI

InChI=1S/C18H24N4O2S/c1-6-24-17(23)14-7-9-15(10-8-14)19-18(25)21(4)11-16-12(2)20-22(5)13(16)3/h7-10H,6,11H2,1-5H3,(H,19,25)