N-[3,5-bis(chloranyl)phenyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3,5-dichlorophenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H23Cl2N5S MolecularWeight: 412.37972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl)C

InChI

InChI=1S/C18H23Cl2N5S/c1-3-25-13(2)14(11-21-25)12-23-4-6-24(7-5-23)18(26)22-17-9-15(19)8-16(20)10-17/h8-11H,3-7,12H2,1-2H3,(H,22,26)