1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C19H21N3O3S MolecularWeight: 371.45334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C19H21N3O3S/c1-3-13-6-4-5-12(2)17(13)20-19(26)22-21-18(23)14-7-8-15-16(11-14)25-10-9-24-15/h4-8,11H,3,9-10H2,1-2H3,(H,21,23)(H2,20,22,26)