1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one

Systemtic Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazino)propan-1-one Formula: C26H35N3OS MolecularWeight: 437.6406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H35N3OS/c1-2-23-14-21-31-25-11-7-6-10-24(25)29(23)26(30)13-16-28-19-17-27(18-20-28)15-12-22-8-4-3-5-9-22/h3-11,23H,2,12-21H2,1H3