1-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone CAS Name: 1-[4-[[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[4-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]phenyl]ethanone Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C21H21N3O2S2/c1-14(25)15-3-5-16(6-4-15)20(26)23-9-11-24(12-10-23)21-22-18-8-7-17(27-2)13-19(18)28-21/h3-8,13H,9-12H2,1-2H3