5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one dihydrochloride

Systemtic Name: 5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one dihydrochloride Openeye Name: 5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one dihydrochloride CAS Name: 5-[3-(4-methyl-1-piperazinyl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one dihydrochloride IUPAC Name: 5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one dihydrochloride Traditional Name: 5-[3-(4-methylpiperazino)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one dihydrochloride Formula: C23H31Cl2N3OS MolecularWeight: 468.48274

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CCCN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C23H29N3OS.2ClH/c1-24-14-16-25(17-15-24)12-7-13-26-20-10-5-6-11-21(20)28-22(18-23(26)27)19-8-3-2-4-9-19;;/h2-6,8-11,22H,7,12-18H2,1H3;2*1H