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

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-[1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1-benzylpyrazol-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3-methoxyphenyl)methyl]-N-[1-(phenylmethyl)-4-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-benzylpyrazol-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-benzylpyrazol-4-yl)-4-m-anisyl-piperazine-1-carbothioamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-29-22-9-5-8-20(14-22)16-26-10-12-27(13-11-26)23(30)25-21-15-24-28(18-21)17-19-6-3-2-4-7-19/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,25,30)