1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-methylpropyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(2-methylpropyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-isobutyl-thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(2-methylpropyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methylpropyl)thiourea Traditional Name: 1-isobutyl-3-(piperonyloylamino)thiourea Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17N3O3S/c1-8(2)6-14-13(20)16-15-12(17)9-3-4-10-11(5-9)19-7-18-10/h3-5,8H,6-7H2,1-2H3,(H,15,17)(H2,14,16,20)