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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3-methoxypropyl)thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(3-methoxypropyl)thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-(3-methoxypropyl)thiourea Traditional Name: 1-(3-methoxypropyl)-3-(piperonyloylamino)thiourea Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-18-6-2-5-14-13(21)16-15-12(17)9-3-4-10-11(7-9)20-8-19-10/h3-4,7H,2,5-6,8H2,1H3,(H,15,17)(H2,14,16,21)