(4-tert-butylphenyl)-[(3S)-1-(thian-4-yl)piperidin-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-(thian-4-yl)piperidin-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-tetrahydrothiopyran-4-yl-3-piperidyl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-(4-thianyl)-3-piperidinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-(thian-4-yl)piperidin-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-tetrahydrothiopyran-4-yl-3-piperidyl]methanone Formula: C21H31NOS MolecularWeight: 345.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCCN(C2)C3CCSCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[C@H]2CCCN(C2)C3CCSCC3

InChI

InChI=1S/C21H31NOS/c1-21(2,3)18-8-6-16(7-9-18)20(23)17-5-4-12-22(15-17)19-10-13-24-14-11-19/h6-9,17,19H,4-5,10-15H2,1-3H3/t17-/m0/s1