N-(3,4-dichlorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dichlorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C17H21Cl2N5S MolecularWeight: 398.35314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H21Cl2N5S/c1-12-13(10-20-22(12)2)11-23-5-7-24(8-6-23)17(25)21-14-3-4-15(18)16(19)9-14/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,25)