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

Systemtic Name: 1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethyl-1-piperazinyl)-1-propanone IUPAC Name: 1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-phenethylpiperazino)propan-1-one Formula: C25H33N3OS MolecularWeight: 423.61402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3OS/c1-21-13-20-30-24-10-6-5-9-23(24)28(21)25(29)12-15-27-18-16-26(17-19-27)14-11-22-7-3-2-4-8-22/h2-10,21H,11-20H2,1H3