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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[(1-ethyl-5-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)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)Cl)C

Isomeric SMILES

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

InChI

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