1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one

Systemtic Name: 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Openeye Name: 1-(4-pyrrolidin-1-yl-1-piperidyl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: 2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: 1-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-[4-sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: 2-[4-mercapto-3-(trifluoromethyl)phenyl]-1-(4-pyrrolidinopiperidino)prop-2-en-1-one Formula: C19H23F3N2OS MolecularWeight: 384.45893

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCC(CC2)N3CCCC3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)C(F)(F)F)C(=O)N2CCC(CC2)N3CCCC3

InChI

InChI=1S/C19H23F3N2OS/c1-13(14-4-5-17(26)16(12-14)19(20,21)22)18(25)24-10-6-15(7-11-24)23-8-2-3-9-23/h4-5,12,15,26H,1-3,6-11H2