1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]piperazino]ethanone Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S2/c1-15(25)23-10-12-24(13-11-23)20(26)17-8-6-16(7-9-17)14-27-21-22-18-4-2-3-5-19(18)28-21/h2-9H,10-14H2,1H3