N-[2-[(5-chloranylpyridin-2-yl)carbamothioyl]-4-methyl-phenyl]-1-propan-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(5-chloranylpyridin-2-yl)carbamothioyl]-4-methyl-phenyl]-1-propan-2-yl-piperidine-4-carboxamide Openeye Name: N-[2-[(5-chloro-2-pyridyl)carbamothioyl]-4-methyl-phenyl]-1-isopropyl-piperidine-4-carboxamide CAS Name: N-[2-[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-4-methylphenyl]-1-propan-2-yl-4-piperidinecarboxamide IUPAC Name: N-[2-[(5-chloropyridin-2-yl)carbamothioyl]-4-methylphenyl]-1-propan-2-ylpiperidine-4-carboxamide Traditional Name: N-[2-[(5-chloro-2-pyridyl)thiocarbamoyl]-4-methyl-phenyl]-1-isopropyl-isonipecotamide Formula: C22H27ClN4OS MolecularWeight: 430.99398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C)C(=S)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(C)C)C(=S)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN4OS/c1-14(2)27-10-8-16(9-11-27)21(28)25-19-6-4-15(3)12-18(19)22(29)26-20-7-5-17(23)13-24-20/h4-7,12-14,16H,8-11H2,1-3H3,(H,25,28)(H,24,26,29)