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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(phenylmethyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-benzyl-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=N3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=N3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c28-22(24-13-17-6-2-1-3-7-17)25(15-19-8-4-5-11-23-19)14-18-9-10-20-21(12-18)27-16-26-20/h1-12H,13-16H2,(H,24,28)