4-methyl-N-(2-oxidanylidene-1-azacyclotridec-3-yl)-2-[(2-sulfanylphenyl)methyl]pentanamide

Systemtic Name: 4-methyl-N-(2-oxidanylidene-1-azacyclotridec-3-yl)-2-[(2-sulfanylphenyl)methyl]pentanamide Openeye Name: 4-methyl-N-(2-oxo-azacyclotridec-3-yl)-2-[(2-sulfanylphenyl)methyl]pentanamide CAS Name: 2-[(2-mercaptophenyl)methyl]-4-methyl-N-(2-oxo-azacyclotridec-3-yl)pentanamide IUPAC Name: 4-methyl-N-(2-oxo-azacyclotridec-3-yl)-2-[(2-sulfanylphenyl)methyl]pentanamide Traditional Name: N-(2-keto-azacyclotridec-3-yl)-2-(2-mercaptobenzyl)-4-methyl-valeramide Formula: C25H40N2O2S MolecularWeight: 432.6623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1S)C(=O)NC2CCCCCCCCCCNC2=O

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1S)C(=O)NC2CCCCCCCCCCNC2=O

InChI

InChI=1S/C25H40N2O2S/c1-19(2)17-21(18-20-13-10-11-15-23(20)30)24(28)27-22-14-9-7-5-3-4-6-8-12-16-26-25(22)29/h10-11,13,15,19,21-22,30H,3-9,12,14,16-18H2,1-2H3,(H,26,29)(H,27,28)