N-(2,6-dimethylphenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2,6-dimethylphenyl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(2,6-dimethylphenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,6-dimethylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2,6-dimethylphenyl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N2CCN(CC2)C3=CC=CC=N3

InChI

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