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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazino)propan-1-one Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCN3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCN3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H31N3OS/c28-24(27-13-6-20-29-23-10-5-4-9-22(23)27)12-15-26-18-16-25(17-19-26)14-11-21-7-2-1-3-8-21/h1-5,7-10H,6,11-20H2