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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-phenoxyphenyl)-1-propyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-phenoxyphenyl)-1-propyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-phenoxyphenyl)-1-propylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-phenoxyphenyl)-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-phenoxyphenyl)-1-propyl-thiourea Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c1-2-16-27(17-22-18-28-23-10-6-7-11-24(23)30-22)25(31)26-19-12-14-21(15-13-19)29-20-8-4-3-5-9-20/h3-15,22H,2,16-18H2,1H3,(H,26,31)/t22-/m0/s1