1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(E)-2-(2-pyridinyl)ethenyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]thiourea Traditional Name: 1-piperonyl-3-[3-[(E)-2-(2-pyridyl)vinyl]phenyl]thiourea Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC(=C3)C=CC4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC(=C3)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C22H19N3O2S/c28-22(24-14-17-8-10-20-21(13-17)27-15-26-20)25-19-6-3-4-16(12-19)7-9-18-5-1-2-11-23-18/h1-13H,14-15H2,(H2,24,25,28)/b9-7+