8-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 8-chloranyl-2-(4-methoxyphenyl)-3-oxidanyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[3-(4-phenyl-1-piperazinyl)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 8-chloro-3-hydroxy-2-(4-methoxyphenyl)-5-[3-(4-phenylpiperazino)propyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C29H32ClN3O3S MolecularWeight: 538.10068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCCN4CCN(CC4)C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCCN4CCN(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H32ClN3O3S/c1-36-24-11-8-21(9-12-24)28-27(34)29(35)33(25-13-10-22(30)20-26(25)37-28)15-5-14-31-16-18-32(19-17-31)23-6-3-2-4-7-23/h2-4,6-13,20,27-28,34H,5,14-19H2,1H3