3-(3-bromophenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-methyl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H17BrN2O2S/c1-20(17(23)19-13-6-4-5-12(18)9-13)10-14-11-21-15-7-2-3-8-16(15)22-14/h2-9,14H,10-11H2,1H3,(H,19,23)/t14-/m0/s1