N-(5-chloranyl-2-methoxy-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C18H24ClN5OS/c1-13-14(11-22(2)21-13)12-23-6-8-24(9-7-23)18(26)20-16-10-15(19)4-5-17(16)25-3/h4-5,10-11H,6-9,12H2,1-3H3,(H,20,26)