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

Systemtic Name: 3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 1-(4-ethyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-veratrylpiperazino)propan-1-one Formula: C27H37N3O3S MolecularWeight: 483.66598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1CCSC2=CC=CC=C2N1C(=O)CCN3CCN(CC3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H37N3O3S/c1-4-22-12-18-34-26-8-6-5-7-23(26)30(22)27(31)11-13-28-14-16-29(17-15-28)20-21-9-10-24(32-2)25(19-21)33-3/h5-10,19,22H,4,11-18,20H2,1-3H3