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

Systemtic Name: methyl 2-[[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H27N5O2S2/c1-16-18(14-24-26(16)2)15-27-9-11-28(12-10-27)23(31)25-21-19(22(29)30-3)13-20(32-21)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3,(H,25,31)