ethyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H29N5O2S2 MolecularWeight: 483.64936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=C(N(N=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=C(N(N=C4)C)C

InChI

InChI=1S/C24H29N5O2S2/c1-4-31-23(30)20-14-21(18-8-6-5-7-9-18)33-22(20)26-24(32)29-12-10-28(11-13-29)16-19-15-25-27(3)17(19)2/h5-9,14-15H,4,10-13,16H2,1-3H3,(H,26,32)