2-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-2-phenylsulfanyl-ethanamine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-2-phenylsulfanyl-ethanamine Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(2-furyl)ethyl]-2-phenylsulfanyl-ethanamine CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(2-furanyl)ethyl]-2-(phenylthio)ethanamine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-2-phenylsulfanylethanamine Traditional Name: [2-(1,3-benzodioxol-5-yl)-2-(phenylthio)ethyl]-[2-(2-furyl)ethyl]amine Formula: C21H21NO3S MolecularWeight: 367.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNCCC3=CC=CO3)SC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNCCC3=CC=CO3)SC4=CC=CC=C4

InChI

InChI=1S/C21H21NO3S/c1-2-6-18(7-3-1)26-21(14-22-11-10-17-5-4-12-23-17)16-8-9-19-20(13-16)25-15-24-19/h1-9,12-13,21-22H,10-11,14-15H2