3-methylsulfanyl-1-[3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]propan-1-one Openeye Name: 1-[3-(4-isopropylanilino)-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 3-(methylthio)-1-[3-(4-propan-2-ylanilino)-1-piperidinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]propan-1-one Traditional Name: 1-(3-cumidinopiperidino)-3-(methylthio)propan-1-one Formula: C18H28N2OS MolecularWeight: 320.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCSC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCSC

InChI

InChI=1S/C18H28N2OS/c1-14(2)15-6-8-16(9-7-15)19-17-5-4-11-20(13-17)18(21)10-12-22-3/h6-9,14,17,19H,4-5,10-13H2,1-3H3