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

Systemtic Name: ethyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H31N5O2S2 MolecularWeight: 497.67594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=C(N(N=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=C(N(N=C4)C)C

InChI

InChI=1S/C25H31N5O2S2/c1-5-32-24(31)22-21(19-9-7-6-8-10-19)18(3)34-23(22)27-25(33)30-13-11-29(12-14-30)16-20-15-26-28(4)17(20)2/h6-10,15H,5,11-14,16H2,1-4H3,(H,27,33)