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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

C=CCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

InChI

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