ethyl 4-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)C)C

InChI

InChI=1S/C20H27N5O2S/c1-4-27-19(26)16-5-7-18(8-6-16)22-20(28)25-11-9-24(10-12-25)14-17-13-21-23(3)15(17)2/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,28)