2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-ethanoylphenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-ethanoylphenyl)benzamide Openeye Name: N-(2-acetylphenyl)-2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(2-acetylphenyl)-2-[[2-(1-adamantylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(2-acetylphenyl)-2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: N-(2-acetylphenyl)-2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]benzamide Formula: C27H30N2O3S MolecularWeight: 462.6037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30N2O3S/c1-17(30)21-6-2-4-8-23(21)28-26(32)22-7-3-5-9-24(22)33-16-25(31)29-27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,18-20H,10-16H2,1H3,(H,28,32)(H,29,31)