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

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(2,4-dichlorophenyl)methyl]-N-[(1-ethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2,4-dichlorobenzyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H23Cl2N5S MolecularWeight: 412.37972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1C=C(C=N1)CNC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H23Cl2N5S/c1-2-25-12-14(11-22-25)10-21-18(26)24-7-5-23(6-8-24)13-15-3-4-16(19)9-17(15)20/h3-4,9,11-12H,2,5-8,10,13H2,1H3,(H,21,26)