4-azanyl-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]isoindoline-1,3-quinone Formula: C18H16N4O2S MolecularWeight: 352.41024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

InChI

InChI=1S/C18H16N4O2S/c1-21(9-15-20-13-7-2-3-8-14(13)25-15)10-22-17(23)11-5-4-6-12(19)16(11)18(22)24/h2-8H,9-10,19H2,1H3