3-(1,3-benzodioxol-5-ylmethyl)-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-piperonyl-1,1-bis(2-pyridylmethyl)thiourea Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CC3=CC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CC3=CC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C21H20N4O2S/c28-21(24-12-16-7-8-19-20(11-16)27-15-26-19)25(13-17-5-1-3-9-22-17)14-18-6-2-4-10-23-18/h1-11H,12-15H2,(H,24,28)