(E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-yl)piperidino]-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C22H22N2OS2 MolecularWeight: 394.55288

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2OS2/c1-26-18-9-6-16(7-10-18)8-11-21(25)24-14-12-17(13-15-24)22-23-19-4-2-3-5-20(19)27-22/h2-11,17H,12-15H2,1H3/b11-8+