1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-3-phenyl-thiourea

Systemtic Name: 1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]piperidin-4-yl]-3-phenyl-thiourea Openeye Name: 1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-piperidyl]-3-phenyl-thiourea CAS Name: 1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-4-piperidinyl]-3-phenylthiourea IUPAC Name: 1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]-3-phenylthiourea Traditional Name: 1-[1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-piperidyl]-3-phenyl-thiourea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=S)NC2=CC=CC=C2)CC(C3COC4=CC=CC=C4O3)O

Isomeric SMILES

C1CN(CCC1NC(=S)NC2=CC=CC=C2)CC(C3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C22H27N3O3S/c26-18(21-15-27-19-8-4-5-9-20(19)28-21)14-25-12-10-17(11-13-25)24-22(29)23-16-6-2-1-3-7-16/h1-9,17-18,21,26H,10-15H2,(H2,23,24,29)