1-(1,3-benzodioxol-5-ylcarbonylamino)-3-butyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-butyl-thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-butyl-thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-butylthiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-butylthiourea Traditional Name: 1-butyl-3-(piperonyloylamino)thiourea Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-2-3-6-14-13(20)16-15-12(17)9-4-5-10-11(7-9)19-8-18-10/h4-5,7H,2-3,6,8H2,1H3,(H,15,17)(H2,14,16,20)