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

Systemtic Name: ethyl 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]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(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=C(N(N=C4C)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=C(N(N=C4C)C)C

InChI

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