3-[2-(octylamino)ethanoyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[2-(octylamino)ethanoyl]-1,3-benzothiazol-2-one Openeye Name: 3-[2-(octylamino)acetyl]-1,3-benzothiazol-2-one CAS Name: 3-[2-(octylamino)-1-oxoethyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[2-(octylamino)acetyl]-1,3-benzothiazol-2-one Traditional Name: 3-[2-(octylamino)acetyl]-1,3-benzothiazol-2-one Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(=O)N1C2=CC=CC=C2SC1=O

Isomeric SMILES

CCCCCCCCNCC(=O)N1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C17H24N2O2S/c1-2-3-4-5-6-9-12-18-13-16(20)19-14-10-7-8-11-15(14)22-17(19)21/h7-8,10-11,18H,2-6,9,12-13H2,1H3