[4-[4-(azocan-1-ylmethyl)phenoxy]piperidin-1-yl]-(1,3-benzothiazol-2-yl)methanone

Systemtic Name: [4-[4-(azocan-1-ylmethyl)phenoxy]piperidin-1-yl]-(1,3-benzothiazol-2-yl)methanone Openeye Name: [4-[4-(azocan-1-ylmethyl)phenoxy]-1-piperidyl]-(1,3-benzothiazol-2-yl)methanone CAS Name: [4-[4-(1-azocanylmethyl)phenoxy]-1-piperidinyl]-(1,3-benzothiazol-2-yl)methanone IUPAC Name: [4-[4-(azocan-1-ylmethyl)phenoxy]piperidin-1-yl]-(1,3-benzothiazol-2-yl)methanone Traditional Name: [4-[4-(azocan-1-ylmethyl)phenoxy]piperidino]-(1,3-benzothiazol-2-yl)methanone Formula: C27H33N3O2S MolecularWeight: 463.63482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CCC1)CC2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H33N3O2S/c31-27(26-28-24-8-4-5-9-25(24)33-26)30-18-14-23(15-19-30)32-22-12-10-21(11-13-22)20-29-16-6-2-1-3-7-17-29/h4-5,8-13,23H,1-3,6-7,14-20H2