3-(4-methoxyphenyl)-1-phenyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-methoxyphenyl)-1-phenyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-pyrazole-4-carboxamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-1-phenyl-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-pyrazolecarboxamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C29H29N5O2S MolecularWeight: 511.63786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O2S/c1-36-25-14-12-23(13-15-25)27-26(21-34(31-27)24-10-6-3-7-11-24)28(35)30-29(37)33-18-16-32(17-19-33)20-22-8-4-2-5-9-22/h2-15,21H,16-20H2,1H3,(H,30,35,37)