N-[2-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-[2-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-N-(pyridin-3-ylmethyl)propanamide Openeye Name: N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-N-(3-pyridylmethyl)propanamide CAS Name: N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-N-(3-pyridinylmethyl)propanamide IUPAC Name: N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-N-(pyridin-3-ylmethyl)propanamide Traditional Name: N-[2-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-N-(3-pyridylmethyl)propionamide Formula: C28H32N4O4S MolecularWeight: 520.64308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCC(=O)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)S3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCOCCC(=O)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)S3)CC4=CN=CC=C4

InChI

InChI=1S/C28H32N4O4S/c33-24-9-8-23(27-26(24)31-28(35)37-27)10-14-29-15-16-32(20-22-7-4-13-30-19-22)25(34)12-18-36-17-11-21-5-2-1-3-6-21/h1-9,13,19,29,33H,10-12,14-18,20H2,(H,31,35)