N-(3-chloranyl-4-methyl-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H24ClN5S MolecularWeight: 377.93466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=CN(N=C3C)C)Cl

InChI

InChI=1S/C18H24ClN5S/c1-13-4-5-16(10-17(13)19)20-18(25)24-8-6-23(7-9-24)12-15-11-22(3)21-14(15)2/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,25)