N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxidanylideneazocan-1-yl)ethanamide

Systemtic Name: N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxidanylideneazocan-1-yl)ethanamide Openeye Name: N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]-2-(2-oxoazocan-1-yl)acetamide CAS Name: N-[2-[4-(2-methyl-4-thiazolyl)phenyl]ethyl]-2-(2-oxo-1-azocanyl)acetamide IUPAC Name: N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxoazocan-1-yl)acetamide Traditional Name: 2-(2-ketoazocan-1-yl)-N-[2-[4-(2-methylthiazol-4-yl)phenyl]ethyl]acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)CN3CCCCCCC3=O

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)CCNC(=O)CN3CCCCCCC3=O

InChI

InChI=1S/C21H27N3O2S/c1-16-23-19(15-27-16)18-9-7-17(8-10-18)11-12-22-20(25)14-24-13-5-3-2-4-6-21(24)26/h7-10,15H,2-6,11-14H2,1H3,(H,22,25)