1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethylphenyl)thiourea Formula: C17H18N2O2S MolecularWeight: 314.40202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C17H18N2O2S/c1-11-7-12(2)9-14(8-11)19-17(22)18-13-3-4-15-16(10-13)21-6-5-20-15/h3-4,7-10H,5-6H2,1-2H3,(H2,18,19,22)