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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2-pyridylmethyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxolanylmethyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 1-piperonyl-1-(2-pyridylmethyl)-3-(tetrahydrofurfuryl)thiourea Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

C1CC(OC1)CNC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C20H23N3O3S/c27-20(22-11-17-5-3-9-24-17)23(13-16-4-1-2-8-21-16)12-15-6-7-18-19(10-15)26-14-25-18/h1-2,4,6-8,10,17H,3,5,9,11-14H2,(H,22,27)