4-[(2,4-dichlorophenyl)methyl]-N-[1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-[1-(phenylmethyl)pyrazol-4-yl]piperazine-1-carbothioamide Openeye Name: N-(1-benzylpyrazol-4-yl)-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(2,4-dichlorophenyl)methyl]-N-[1-(phenylmethyl)-4-pyrazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(1-benzylpyrazol-4-yl)-4-[(2,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1-benzylpyrazol-4-yl)-4-(2,4-dichlorobenzyl)piperazine-1-carbothioamide Formula: C22H23Cl2N5S MolecularWeight: 460.42252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23Cl2N5S/c23-19-7-6-18(21(24)12-19)15-27-8-10-28(11-9-27)22(30)26-20-13-25-29(16-20)14-17-4-2-1-3-5-17/h1-7,12-13,16H,8-11,14-15H2,(H,26,30)