N-butyl-N-[2-[[(2R)-2-oxidanyl-2-(2-oxidanylidene-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxy-propanamide

Systemtic Name: N-butyl-N-[2-[[(2R)-2-oxidanyl-2-(2-oxidanylidene-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxy-propanamide Openeye Name: N-[2-[[(2R)-2-(4-benzyloxy-2-oxo-3H-1,3-benzothiazol-7-yl)-2-hydroxy-ethyl]amino]ethyl]-N-butyl-3-phenethyloxy-propanamide CAS Name: N-butyl-N-[2-[[(2R)-2-hydroxy-2-(2-oxo-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxypropanamide IUPAC Name: N-butyl-N-[2-[[(2R)-2-hydroxy-2-(2-oxo-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-3-phenethyloxypropanamide Traditional Name: N-[2-[[(2R)-2-(4-benzoxy-2-keto-3H-1,3-benzothiazol-7-yl)-2-hydroxy-ethyl]amino]ethyl]-N-butyl-3-phenethyloxy-propionamide Formula: C33H41N3O5S MolecularWeight: 591.76074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCNCC(C1=C2C(=C(C=C1)OCC3=CC=CC=C3)NC(=O)S2)O)C(=O)CCOCCC4=CC=CC=C4

Isomeric SMILES

CCCCN(CCNC[C@@H](C1=C2C(=C(C=C1)OCC3=CC=CC=C3)NC(=O)S2)O)C(=O)CCOCCC4=CC=CC=C4

InChI

InChI=1S/C33H41N3O5S/c1-2-3-19-36(30(38)17-22-40-21-16-25-10-6-4-7-11-25)20-18-34-23-28(37)27-14-15-29(31-32(27)42-33(39)35-31)41-24-26-12-8-5-9-13-26/h4-15,28,34,37H,2-3,16-24H2,1H3,(H,35,39)/t28-/m0/s1