N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)aniline Traditional Name: [4-(1,3-benzothiazol-2-yl)phenyl]-piperonyl-amine Formula: C21H16N2O2S MolecularWeight: 360.42894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N2O2S/c1-2-4-20-17(3-1)23-21(26-20)15-6-8-16(9-7-15)22-12-14-5-10-18-19(11-14)25-13-24-18/h1-11,22H,12-13H2