3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl ethanoate

Systemtic Name: 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl ethanoate Openeye Name: 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate CAS Name: acetic acid 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl acetate Traditional Name: acetic acid 3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propyl ester Formula: C23H28N2O2S MolecularWeight: 396.54562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24

Isomeric SMILES

CC(=O)OCCCN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24

InChI

InChI=1S/C23H28N2O2S/c1-18(26)27-16-6-11-24-12-14-25(15-13-24)21-17-19-7-2-4-9-22(19)28-23-10-5-3-8-20(21)23/h2-5,7-10,21H,6,11-17H2,1H3