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

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one CAS Name: 1-[4-[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]-1-piperazinyl]-2-methyl-2-phenyl-1-propanone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one Traditional Name: 1-[4-[4-(1,3-benzothiazol-2-yl)butanoyl]piperazino]-2-methyl-2-phenyl-propan-1-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O2S/c1-25(2,19-9-4-3-5-10-19)24(30)28-17-15-27(16-18-28)23(29)14-8-13-22-26-20-11-6-7-12-21(20)31-22/h3-7,9-12H,8,13-18H2,1-2H3