N-(5-chloranyl-2-methyl-phenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H26ClN5S MolecularWeight: 391.96124

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN5S/c1-4-25-13-16(15(3)22-25)12-23-7-9-24(10-8-23)19(26)21-18-11-17(20)6-5-14(18)2/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,26)