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

Systemtic Name: 2-(chloromethyl)-4-methyl-N-[2-(2-oxidanylidene-1-azacyclotridec-3-yl)phenyl]-2-sulfanyl-pentanamide Openeye Name: 2-(chloromethyl)-4-methyl-N-[2-(2-oxo-azacyclotridec-3-yl)phenyl]-2-sulfanyl-pentanamide CAS Name: 2-(chloromethyl)-2-mercapto-4-methyl-N-[2-(2-oxo-azacyclotridec-3-yl)phenyl]pentanamide IUPAC Name: 2-(chloromethyl)-4-methyl-N-[2-(2-oxo-azacyclotridec-3-yl)phenyl]-2-sulfanylpentanamide Traditional Name: 2-(chloromethyl)-N-[2-(2-keto-azacyclotridec-3-yl)phenyl]-2-mercapto-4-methyl-valeramide Formula: C25H39ClN2O2S MolecularWeight: 467.10736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39ClN2O2S/c1-19(2)17-25(31,18-26)24(30)28-22-15-11-10-13-20(22)21-14-9-7-5-3-4-6-8-12-16-27-23(21)29/h10-11,13,15,19,21,31H,3-9,12,14,16-18H2,1-2H3,(H,27,29)(H,28,30)