2-(1,3-benzothiazol-2-ylmethyl)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-ethyl-butan-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-ethyl-butan-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-1-[4-(cyclopropanecarbonyl)piperazino]-2-ethyl-butan-1-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H29N3O2S/c1-3-22(4-2,15-19-23-17-7-5-6-8-18(17)28-19)21(27)25-13-11-24(12-14-25)20(26)16-9-10-16/h5-8,16H,3-4,9-15H2,1-2H3