4-[(2,4-dichlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide Openeye Name: 4-[(2,4-dichlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide CAS Name: 4-[(2,4-dichlorophenyl)methyl]-N-(1,5-dimethyl-4-pyrazolyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,4-dichlorobenzyl)-N-(1,5-dimethylpyrazol-4-yl)piperazine-1-carbothioamide Formula: C17H21Cl2N5S MolecularWeight: 398.35314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=NN1C)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)Cl)Cl

InChI

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