1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-piperidylmethyl)phenyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(1-piperidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-(piperidinomethyl)benzyl]-3-piperonyl-thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O2S/c28-22(23-13-17-8-9-20-21(12-17)27-16-26-20)24-14-18-6-2-3-7-19(18)15-25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13-16H2,(H2,23,24,28)