2-[3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-(2-phenethyloxyethyl)propanedinitrile

Systemtic Name: 2-[3-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-(2-phenethyloxyethyl)propanedinitrile Openeye Name: 2-[3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-(2-phenethyloxyethyl)propanedinitrile CAS Name: 2-[3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-(2-phenethyloxyethyl)propanedinitrile IUPAC Name: 2-[3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-(2-phenethyloxyethyl)propanedinitrile Traditional Name: 2-[3-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]propyl]-2-(2-phenethyloxyethyl)malononitrile Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCC(CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3)(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCOCCC(CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3)(C#N)C#N

InChI

InChI=1S/C25H28N4O3S/c26-17-25(18-27,12-16-32-15-10-19-5-2-1-3-6-19)11-4-13-28-14-9-20-7-8-21(30)22-23(20)33-24(31)29-22/h1-3,5-8,28,30H,4,9-16H2,(H,29,31)