(3S)-3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide

Systemtic Name: (3S)-3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide Openeye Name: (3S)-3-[ethyl(4-pyridylmethyl)amino]-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide CAS Name: (3S)-3-[ethyl(pyridin-4-ylmethyl)amino]-N-[2-(methylthio)phenyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[ethyl(pyridin-4-ylmethyl)amino]-N-(2-methylsulfanylphenyl)piperidine-1-carboxamide Traditional Name: (3S)-3-[ethyl(4-pyridylmethyl)amino]-N-[2-(methylthio)phenyl]piperidine-1-carboxamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCCN(C2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H28N4OS/c1-3-24(15-17-10-12-22-13-11-17)18-7-6-14-25(16-18)21(26)23-19-8-4-5-9-20(19)27-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3,(H,23,26)/t18-/m0/s1