1-[6-(1-oxidanyl-2H-pyridin-5-yl)-6-phenyl-hexyl]thiourea

Systemtic Name: 1-[6-(1-oxidanyl-2H-pyridin-5-yl)-6-phenyl-hexyl]thiourea Openeye Name: [6-(1-hydroxy-2H-pyridin-5-yl)-6-phenyl-hexyl]thiourea CAS Name: [6-(1-hydroxy-2H-pyridin-5-yl)-6-phenylhexyl]thiourea IUPAC Name: [6-(1-hydroxy-2H-pyridin-5-yl)-6-phenylhexyl]thiourea Traditional Name: [6-(1-hydroxy-2H-pyridin-5-yl)-6-phenyl-hexyl]thiourea Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CN1O)C(CCCCCNC(=S)N)C2=CC=CC=C2

Isomeric SMILES

C1C=CC(=CN1O)C(CCCCCNC(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C18H25N3OS/c19-18(23)20-12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-21(22)14-16/h1,3-4,7-10,14,17,22H,2,5-6,11-13H2,(H3,19,20,23)