1,3-benzodioxole-5-carbaldehyde; 1-prop-2-enylthiourea

Systemtic Name: 1,3-benzodioxole-5-carbaldehyde; 1-prop-2-enylthiourea Openeye Name: allylthiourea; 1,3-benzodioxole-5-carbaldehyde CAS Name: 1,3-benzodioxole-5-carboxaldehyde; prop-2-enylthiourea IUPAC Name: 1,3-benzodioxole-5-carbaldehyde; prop-2-enylthiourea Traditional Name: allylthiourea; piperonal Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N.C1OC2=C(O1)C=C(C=C2)C=O

Isomeric SMILES

C=CCNC(=S)N.C1OC2=C(O1)C=C(C=C2)C=O

InChI

InChI=1S/C8H6O3.C4H8N2S/c9-4-6-1-2-7-8(3-6)11-5-10-7;1-2-3-6-4(5)7/h1-4H,5H2;2H,1,3H2,(H3,5,6,7)