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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenyl-thiourea Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O2S/c21-16(18-12-6-2-1-3-7-12)17-10-13-11-19-14-8-4-5-9-15(14)20-13/h1-9,13H,10-11H2,(H2,17,18,21)/t13-/m0/s1