7-[4-(2-methylpropyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(2-methylpropyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(4-isobutylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2-methylpropyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2-methylpropyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-isobutylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(C)CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H25N3O2S/c1-13(2)12-20-6-8-21(9-7-20)18(23)14-3-4-16-15(11-14)19-17(22)5-10-24-16/h3-4,11,13H,5-10,12H2,1-2H3,(H,19,22)