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

Systemtic Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-3-phenyl-thiourea CAS Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinyl]methyl]-3-phenylthiourea IUPAC Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-3-phenylthiourea Traditional Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-3-phenyl-thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=S)NC2=CC=CC=C2)CC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1CNC(=S)NC2=CC=CC=C2)CC3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H27N3O2S/c28-22(24-18-6-2-1-3-7-18)23-14-17-10-12-25(13-11-17)15-19-16-26-20-8-4-5-9-21(20)27-19/h1-9,17,19H,10-16H2,(H2,23,24,28)