N'-[4-(1,3-benzothiazol-2-ylamino)phenyl]-N-(diethoxyphosphorylmethyl)butanediamide

Systemtic Name: N'-[4-(1,3-benzothiazol-2-ylamino)phenyl]-N-(diethoxyphosphorylmethyl)butanediamide Openeye Name: N'-[4-(1,3-benzothiazol-2-ylamino)phenyl]-N-(diethoxyphosphorylmethyl)butanediamide CAS Name: N'-[4-(1,3-benzothiazol-2-ylamino)phenyl]-N-(diethoxyphosphorylmethyl)butanediamide IUPAC Name: N'-[4-(1,3-benzothiazol-2-ylamino)phenyl]-N-(diethoxyphosphorylmethyl)butanediamide Traditional Name: N'-[4-(1,3-benzothiazol-2-ylamino)phenyl]-N-(diethoxyphosphorylmethyl)succinamide Formula: C22H27N4O5PS MolecularWeight: 490.512341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC(=O)CCC(=O)NC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCOP(=O)(CNC(=O)CCC(=O)NC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C22H27N4O5PS/c1-3-30-32(29,31-4-2)15-23-20(27)13-14-21(28)24-16-9-11-17(12-10-16)25-22-26-18-7-5-6-8-19(18)33-22/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)