4-(2,3-dimethylphenyl)-N-pyridin-3-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-pyridin-3-yl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(3-pyridyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-(3-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-pyridin-3-ylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(3-pyridyl)piperazine-1-carbothioamide Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NC3=CN=CC=C3)C

InChI

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