7-(4-ethanoylpiperazin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(4-ethanoylpiperazin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(4-acetylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[(4-acetyl-1-piperazinyl)-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-acetylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-acetylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H19N3O3S/c1-11(20)18-5-7-19(8-6-18)16(22)12-2-3-14-13(10-12)17-15(21)4-9-23-14/h2-3,10H,4-9H2,1H3,(H,17,21)