3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 1-(4-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-p-anisylpiperazino)propan-1-one Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H33N3O2S/c1-20-12-18-31-24-6-4-3-5-23(24)28(20)25(29)11-13-26-14-16-27(17-15-26)19-21-7-9-22(30-2)10-8-21/h3-10,20H,11-19H2,1-2H3