1-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-3-yl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-3-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-3-ylthiourea Traditional Name: 1-piperonyl-3-(3-pyridyl)thiourea Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C14H13N3O2S/c20-14(17-11-2-1-5-15-8-11)16-7-10-3-4-12-13(6-10)19-9-18-12/h1-6,8H,7,9H2,(H2,16,17,20)