(2S)-N-(2,5-dimethylphenyl)-2-pyridin-3-yl-piperidine-1-carbothioamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-pyridin-3-yl-piperidine-1-carbothioamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-pyridyl)piperidine-1-carbothioamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-pyridinyl)-1-piperidinecarbothioamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-pyridin-3-ylpiperidine-1-carbothioamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-(3-pyridyl)piperidine-1-carbothioamide Formula: C19H23N3S MolecularWeight: 325.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCCCC2C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCCC[C@H]2C3=CN=CC=C3

InChI

InChI=1S/C19H23N3S/c1-14-8-9-15(2)17(12-14)21-19(23)22-11-4-3-7-18(22)16-6-5-10-20-13-16/h5-6,8-10,12-13,18H,3-4,7,11H2,1-2H3,(H,21,23)/t18-/m0/s1