1-[1-[2-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]ethyl]piperidin-4-yl]pyrrolidine-2-thione

Systemtic Name: 1-[1-[2-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]ethyl]piperidin-4-yl]pyrrolidine-2-thione Openeye Name: 1-[1-[2-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]ethyl]-4-piperidyl]pyrrolidine-2-thione CAS Name: 1-[1-[2-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]ethyl]-4-piperidinyl]-2-pyrrolidinethione IUPAC Name: 1-[1-[2-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]ethyl]piperidin-4-yl]pyrrolidine-2-thione Traditional Name: 1-[1-[2-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]ethyl]-4-piperidyl]pyrrolidine-2-thione Formula: C25H29N3OS2 MolecularWeight: 451.64726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=S)N(C1)C2CCN(CC2)CCOC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(=S)N(C1)C2CCN(CC2)CCOC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N3OS2/c30-25-6-3-13-28(25)20-11-14-27(15-12-20)16-17-29-21-9-7-19(8-10-21)18-24-26-22-4-1-2-5-23(22)31-24/h1-2,4-5,7-10,20H,3,6,11-18H2