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

Systemtic Name: 3-bromanyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,5-benzothiazepin-4-one Openeye Name: 3-bromo-5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,5-benzothiazepin-4-one CAS Name: 3-bromo-5-[3-(4-methyl-1-piperazinyl)propyl]-2-phenyl-1,5-benzothiazepin-4-one IUPAC Name: 3-bromo-5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-1,5-benzothiazepin-4-one Traditional Name: 3-bromo-5-[3-(4-methylpiperazino)propyl]-2-phenyl-1,5-benzothiazepin-4-one Formula: C23H26BrN3OS MolecularWeight: 472.44104

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC(=C(C2=O)Br)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC(=C(C2=O)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3OS/c1-25-14-16-26(17-15-25)12-7-13-27-19-10-5-6-11-20(19)29-22(21(24)23(27)28)18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3