N-(13-methoxy-2-oxidanylidene-1-azacyclotridec-3-yl)-2,4-dimethyl-N-phenyl-2-sulfanyl-pentanamide

Systemtic Name: N-(13-methoxy-2-oxidanylidene-1-azacyclotridec-3-yl)-2,4-dimethyl-N-phenyl-2-sulfanyl-pentanamide Openeye Name: N-(13-methoxy-2-oxo-azacyclotridec-3-yl)-2,4-dimethyl-N-phenyl-2-sulfanyl-pentanamide CAS Name: 2-mercapto-N-(13-methoxy-2-oxo-azacyclotridec-3-yl)-2,4-dimethyl-N-phenylpentanamide IUPAC Name: N-(13-methoxy-2-oxo-azacyclotridec-3-yl)-2,4-dimethyl-N-phenyl-2-sulfanylpentanamide Traditional Name: N-(2-keto-13-methoxy-azacyclotridec-3-yl)-2-mercapto-2,4-dimethyl-N-phenyl-valeramide Formula: C26H42N2O3S MolecularWeight: 462.68828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)(C(=O)N(C1CCCCCCCCCC(NC1=O)OC)C2=CC=CC=C2)S

Isomeric SMILES

CC(C)CC(C)(C(=O)N(C1CCCCCCCCCC(NC1=O)OC)C2=CC=CC=C2)S

InChI

InChI=1S/C26H42N2O3S/c1-20(2)19-26(3,32)25(30)28(21-15-11-10-12-16-21)22-17-13-8-6-5-7-9-14-18-23(31-4)27-24(22)29/h10-12,15-16,20,22-23,32H,5-9,13-14,17-19H2,1-4H3,(H,27,29)