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

Systemtic Name: 3-(4-methoxyphenyl)-1-phenyl-N-[4-(phenylmethyl)piperidin-1-yl]carbothioyl-pyrazole-4-carboxamide Openeye Name: N-(4-benzylpiperidine-1-carbothioyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-1-phenyl-N-[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]-4-pyrazolecarboxamide IUPAC Name: N-(4-benzylpiperidine-1-carbothioyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(4-benzylpiperidine-1-carbothioyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C30H30N4O2S MolecularWeight: 510.6498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCC(CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2S/c1-36-26-14-12-24(13-15-26)28-27(21-34(32-28)25-10-6-3-7-11-25)29(35)31-30(37)33-18-16-23(17-19-33)20-22-8-4-2-5-9-22/h2-15,21,23H,16-20H2,1H3,(H,31,35,37)