2,4-dimethyl-N-[2-(2-oxidanylidene-1-azacyclotridec-3-yl)phenyl]-2-sulfanyl-pentanamide

Systemtic Name: 2,4-dimethyl-N-[2-(2-oxidanylidene-1-azacyclotridec-3-yl)phenyl]-2-sulfanyl-pentanamide Openeye Name: 2,4-dimethyl-N-[2-(2-oxo-azacyclotridec-3-yl)phenyl]-2-sulfanyl-pentanamide CAS Name: 2-mercapto-2,4-dimethyl-N-[2-(2-oxo-azacyclotridec-3-yl)phenyl]pentanamide IUPAC Name: 2,4-dimethyl-N-[2-(2-oxo-azacyclotridec-3-yl)phenyl]-2-sulfanylpentanamide Traditional Name: N-[2-(2-keto-azacyclotridec-3-yl)phenyl]-2-mercapto-2,4-dimethyl-valeramide Formula: C25H40N2O2S MolecularWeight: 432.6623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C(=O)NC1=CC=CC=C1C2CCCCCCCCCCNC2=O)S

Isomeric SMILES

CC(C)CC(C)(C(=O)NC1=CC=CC=C1C2CCCCCCCCCCNC2=O)S

InChI

InChI=1S/C25H40N2O2S/c1-19(2)18-25(3,30)24(29)27-22-16-12-11-14-20(22)21-15-10-8-6-4-5-7-9-13-17-26-23(21)28/h11-12,14,16,19,21,30H,4-10,13,15,17-18H2,1-3H3,(H,26,28)(H,27,29)