1-(1,3-benzodioxol-5-ylmethyl)-3-(pyrazin-2-ylcarbonylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pyrazin-2-ylcarbonylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pyrazine-2-carbonylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[oxo(2-pyrazinyl)methyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pyrazine-2-carbonylamino)thiourea Traditional Name: 1-piperonyl-3-(pyrazinoylamino)thiourea Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=NC=CN=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=NC=CN=C3

InChI

InChI=1S/C14H13N5O3S/c20-13(10-7-15-3-4-16-10)18-19-14(23)17-6-9-1-2-11-12(5-9)22-8-21-11/h1-5,7H,6,8H2,(H,18,20)(H2,17,19,23)