1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-3-phenyl-propan-1-one Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS2/c1-26-17-8-9-18-19(15-17)27-21(22-18)24-13-11-23(12-14-24)20(25)10-7-16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-14H2,1H3