4-[4-(chloranyl-phenyl-pyridin-2-yl-methoxy)piperidin-1-yl]-3-propyl-1,3-benzoxazole-2-thione

Systemtic Name: 4-[4-(chloranyl-phenyl-pyridin-2-yl-methoxy)piperidin-1-yl]-3-propyl-1,3-benzoxazole-2-thione Openeye Name: 4-[4-[chloro-phenyl-(2-pyridyl)methoxy]-1-piperidyl]-3-propyl-1,3-benzoxazole-2-thione CAS Name: 4-[4-[chloro-phenyl-(2-pyridinyl)methoxy]-1-piperidinyl]-3-propyl-1,3-benzoxazole-2-thione IUPAC Name: 4-[4-(chloro-phenyl-pyridin-2-ylmethoxy)piperidin-1-yl]-3-propyl-1,3-benzoxazole-2-thione Traditional Name: 4-[4-[chloro-phenyl-(2-pyridyl)methoxy]piperidino]-3-propyl-1,3-benzoxazole-2-thione Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC=C2OC1=S)N3CCC(CC3)OC(C4=CC=CC=C4)(C5=CC=CC=N5)Cl

Isomeric SMILES

CCCN1C2=C(C=CC=C2OC1=S)N3CCC(CC3)OC(C4=CC=CC=C4)(C5=CC=CC=N5)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-2-17-31-25-22(11-8-12-23(25)32-26(31)34)30-18-14-21(15-19-30)33-27(28,20-9-4-3-5-10-20)24-13-6-7-16-29-24/h3-13,16,21H,2,14-15,17-19H2,1H3