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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5OS/c1-14-5-6-18(25-4)17(11-14)20-19(26)24-9-7-23(8-10-24)13-16-12-22(3)21-15(16)2/h5-6,11-12H,7-10,13H2,1-4H3,(H,20,26)