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

Systemtic Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3OS2/c1-27-18-9-6-17(7-10-18)8-11-22(26)25-14-12-24(13-15-25)16-21-23-19-4-2-3-5-20(19)28-21/h2-11H,12-16H2,1H3/b11-8+