2-ethyl-2,7-dimethyl-1-oxidanylidene-3H-1,3-benzothiazol-4-ol; 3-phenethyloxyazepane

Systemtic Name: 2-ethyl-2,7-dimethyl-1-oxidanylidene-3H-1,3-benzothiazol-4-ol; 3-phenethyloxyazepane Openeye Name: 2-ethyl-2,7-dimethyl-1-oxo-3H-1,3-benzothiazol-4-ol; 3-phenethyloxyazepane CAS Name: 2-ethyl-2,7-dimethyl-1-oxo-3H-1,3-benzothiazol-4-ol; 3-phenethyloxyazepane IUPAC Name: 2-ethyl-2,7-dimethyl-1-oxo-3H-1,3-benzothiazol-4-ol; 3-phenethyloxyazepane Traditional Name: 2-ethyl-1-keto-2,7-dimethyl-3H-1,3-benzothiazol-4-ol; 3-phenethyloxyazepane Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(NC2=C(C=CC(=C2S1=O)C)O)C.C1CCNCC(C1)OCCC2=CC=CC=C2

Isomeric SMILES

CCC1(NC2=C(C=CC(=C2S1=O)C)O)C.C1CCNCC(C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C14H21NO.C11H15NO2S/c1-2-6-13(7-3-1)9-11-16-14-8-4-5-10-15-12-14;1-4-11(3)12-9-8(13)6-5-7(2)10(9)15(11)14/h1-3,6-7,14-15H,4-5,8-12H2;5-6,12-13H,4H2,1-3H3