3-[1-(1,3-benzothiazol-2-yl)ethylamino]azepan-2-one

Systemtic Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]azepan-2-one Openeye Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]azepan-2-one CAS Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]-2-azepanone IUPAC Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]azepan-2-one Traditional Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]azepan-2-one Formula: C15H19N3OS MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)NC3CCCCNC3=O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)NC3CCCCNC3=O

InChI

InChI=1S/C15H19N3OS/c1-10(17-12-7-4-5-9-16-14(12)19)15-18-11-6-2-3-8-13(11)20-15/h2-3,6,8,10,12,17H,4-5,7,9H2,1H3,(H,16,19)