N-[[3-(1,3-benzothiazol-2-yl)-4-methoxy-phenyl]methyl]-1-naphthalen-1-yl-ethanamine

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4-methoxy-phenyl]methyl]-1-naphthalen-1-yl-ethanamine Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4-methoxy-phenyl]methyl]-1-(1-naphthyl)ethanamine CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]methyl]-1-(1-naphthalenyl)ethanamine IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]methyl]-1-naphthalen-1-ylethanamine Traditional Name: [3-(1,3-benzothiazol-2-yl)-4-methoxy-benzyl]-[1-(1-naphthyl)ethyl]amine Formula: C27H24N2OS MolecularWeight: 424.55726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC(=C(C=C3)OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H24N2OS/c1-18(21-11-7-9-20-8-3-4-10-22(20)21)28-17-19-14-15-25(30-2)23(16-19)27-29-24-12-5-6-13-26(24)31-27/h3-16,18,28H,17H2,1-2H3