1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]piperazino]-3-methyl-butan-1-one Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S2/c1-17(2)15-22(28)26-11-13-27(14-12-26)23(29)19-9-7-18(8-10-19)16-30-24-25-20-5-3-4-6-21(20)31-24/h3-10,17H,11-16H2,1-2H3