N-(2,5-dimethylphenyl)-4-pyridin-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-pyridin-4-yl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(4-pyridyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-pyridin-4-yl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-pyridin-4-ylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-(4-pyridyl)piperazine-1-carbothioamide Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C18H22N4S/c1-14-3-4-15(2)17(13-14)20-18(23)22-11-9-21(10-12-22)16-5-7-19-8-6-16/h3-8,13H,9-12H2,1-2H3,(H,20,23)