3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine

Systemtic Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine Openeye Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine CAS Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylthio)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-propanamine IUPAC Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propan-1-amine Traditional Name: 3-(4,5-dihydro-3H-1,2-benzodioxepin-8-ylthio)propyl-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amine Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)SCCCNCC3COC4=CC=CC=C4O3)OOC1

Isomeric SMILES

C1CC2=C(C=C(C=C2)SCCCNCC3COC4=CC=CC=C4O3)OOC1

InChI

InChI=1S/C21H25NO4S/c1-2-7-20-19(6-1)23-15-17(25-20)14-22-10-4-12-27-18-9-8-16-5-3-11-24-26-21(16)13-18/h1-2,6-9,13,17,22H,3-5,10-12,14-15H2