1-(1,3-benzodioxol-5-ylcarbonylamino)-1-prop-2-enyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-1-prop-2-enyl-thiourea Openeye Name: 1-allyl-1-(1,3-benzodioxole-5-carbonylamino)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-prop-2-enylthiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-1-prop-2-enylthiourea Traditional Name: 1-allyl-1-(piperonyloylamino)thiourea Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(=S)N)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

C=CCN(C(=S)N)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13N3O3S/c1-2-5-15(12(13)19)14-11(16)8-3-4-9-10(6-8)18-7-17-9/h2-4,6H,1,5,7H2,(H2,13,19)(H,14,16)