1-[5-(6-azanylpyridin-3-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethyl-urea

Systemtic Name: 1-[5-(6-azanylpyridin-3-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethyl-urea Openeye Name: 1-[5-(6-amino-3-pyridyl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea CAS Name: 1-[5-(6-amino-3-pyridinyl)-7-(3-pyridinyl)-1,3-benzothiazol-2-yl]-3-ethylurea IUPAC Name: 1-[5-(6-aminopyridin-3-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethylurea Traditional Name: 1-[5-(6-amino-3-pyridyl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea Formula: C20H18N6OS MolecularWeight: 390.46152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CN=C(C=C4)N

Isomeric SMILES

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CN=C(C=C4)N

InChI

InChI=1S/C20H18N6OS/c1-2-23-19(27)26-20-25-16-9-14(12-5-6-17(21)24-11-12)8-15(18(16)28-20)13-4-3-7-22-10-13/h3-11H,2H2,1H3,(H2,21,24)(H2,23,25,26,27)