1-(4-bromanyl-3-methyl-phenyl)-3-(2-oxidanylideneoxolan-3-yl)thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-(2-oxidanylideneoxolan-3-yl)thiourea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-(2-oxotetrahydrofuran-3-yl)thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-(2-oxo-3-oxolanyl)thiourea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-(2-oxooxolan-3-yl)thiourea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-(2-ketotetrahydrofuran-3-yl)thiourea Formula: C12H13BrN2O2S MolecularWeight: 329.21282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC2CCOC2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC2CCOC2=O)Br

InChI

InChI=1S/C12H13BrN2O2S/c1-7-6-8(2-3-9(7)13)14-12(18)15-10-4-5-17-11(10)16/h2-3,6,10H,4-5H2,1H3,(H2,14,15,18)