3-(3-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea

Systemtic Name: 3-(3-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Openeye Name: 3-(3-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea CAS Name: 3-(3-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea IUPAC Name: 3-(3-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea Traditional Name: 3-(3-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Formula: C17H17BrN2O2S MolecularWeight: 393.29808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H17BrN2O2S/c1-20(17(23)19-14-4-2-3-13(18)10-14)11-12-5-6-15-16(9-12)22-8-7-21-15/h2-6,9-10H,7-8,11H2,1H3,(H,19,23)