[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O3S/c1-19(25(30)28-16-14-27(15-17-28)18-20-8-3-2-4-9-20)31-24(29)13-7-12-23-26-21-10-5-6-11-22(21)32-23/h2-6,8-11,19H,7,12-18H2,1H3