2-ethyl-1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[(5-methyl-1,2-benzothiazol-3-yl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazino]butan-1-one Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C(=O)C2=NSC3=C2C=C(C=C3)C

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C(=O)C2=NSC3=C2C=C(C=C3)C

InChI

InChI=1S/C19H25N3O2S/c1-4-14(5-2)18(23)21-8-10-22(11-9-21)19(24)17-15-12-13(3)6-7-16(15)25-20-17/h6-7,12,14H,4-5,8-11H2,1-3H3