3-(1,3-benzothiazol-2-yl)-1-(4-ethanoyl-1,4-diazepan-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(4-ethanoyl-1,4-diazepan-1-yl)propan-1-one Openeye Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-(1,3-benzothiazol-2-yl)propan-1-one CAS Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-(1,3-benzothiazol-2-yl)-1-propanone IUPAC Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-(1,3-benzothiazol-2-yl)propan-1-one Traditional Name: 1-(4-acetyl-1,4-diazepan-1-yl)-3-(1,3-benzothiazol-2-yl)propan-1-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H21N3O2S/c1-13(21)19-9-4-10-20(12-11-19)17(22)8-7-16-18-14-5-2-3-6-15(14)23-16/h2-3,5-6H,4,7-12H2,1H3