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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-phenyl-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=N3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=N3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c27-21(23-17-6-2-1-3-7-17)24(14-18-8-4-5-11-22-18)13-16-9-10-19-20(12-16)26-15-25-19/h1-12H,13-15H2,(H,23,27)