methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H31N5O2S2/c1-4-30-17-20(18(2)27-30)16-28-10-12-29(13-11-28)25(33)26-23-22(24(31)32-3)15-21(34-23)14-19-8-6-5-7-9-19/h5-9,15,17H,4,10-14,16H2,1-3H3,(H,26,33)