1-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea

Systemtic Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Openeye Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea IUPAC Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Traditional Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C13H18N2O2S/c1-2-3-6-14-13(18)15-10-4-5-11-12(9-10)17-8-7-16-11/h4-5,9H,2-3,6-8H2,1H3,(H2,14,15,18)