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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hexanoylamino)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hexanoylamino)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-oxohexylamino)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(hexanoylamino)thiourea Traditional Name: 1-(caproylamino)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H21N3O3S/c1-2-3-4-5-14(19)17-18-15(22)16-11-6-7-12-13(10-11)21-9-8-20-12/h6-7,10H,2-5,8-9H2,1H3,(H,17,19)(H2,16,18,22)