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

Systemtic Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)thiourea Openeye Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)thiourea CAS Name: 1-butyl-3-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]thiourea IUPAC Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)thiourea Traditional Name: 1-butyl-3-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)thiourea Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1COC2=CC=CC=C2O1

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1COC2=CC=CC=C2O1

InChI

InChI=1S/C14H19N3O3S/c1-2-3-8-15-14(21)17-16-13(18)12-9-19-10-6-4-5-7-11(10)20-12/h4-7,12H,2-3,8-9H2,1H3,(H,16,18)(H2,15,17,21)