N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-4-m-anisyl-piperazine-1-carbothioamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H31N5OS/c1-19-24(20(2)30(27-19)18-21-8-5-4-6-9-21)26-25(32)29-14-12-28(13-15-29)17-22-10-7-11-23(16-22)31-3/h4-11,16H,12-15,17-18H2,1-3H3,(H,26,32)