N-[2,3-bis(chloranyl)phenyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,3-dichlorophenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,3-dichlorophenyl)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dichlorophenyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,3-dichlorophenyl)-4-[(1-ethyl-3-methyl-pyrazol-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)C)CN2CCN(CC2)C(=S)NC3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H23Cl2N5S/c1-3-25-12-14(13(2)22-25)11-23-7-9-24(10-8-23)18(26)21-16-6-4-5-15(19)17(16)20/h4-6,12H,3,7-11H2,1-2H3,(H,21,26)