(5S,6S)-3-chloranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol

Systemtic Name: (5S,6S)-3-chloranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Openeye Name: (5S,6S)-3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol CAS Name: (5S,6S)-3-chloro-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol IUPAC Name: (5S,6S)-3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Traditional Name: (5S,6S)-3-chloro-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-6-ol Formula: C19H21ClN2OS MolecularWeight: 360.90084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2C(C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

Isomeric SMILES

CN1CCN(CC1)[C@@H]2[C@H](C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C19H21ClN2OS/c1-21-8-10-22(11-9-21)18-15-12-13(20)6-7-17(15)24-16-5-3-2-4-14(16)19(18)23/h2-7,12,18-19,23H,8-11H2,1H3/t18-,19-/m0/s1