2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[(4-methoxyphenyl)methyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-p-anisyl-benzamide Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O3S/c1-32-22-8-6-18(7-9-22)16-28-26(31)23-4-2-3-5-24(23)33-17-25(30)29-27-13-19-10-20(14-27)12-21(11-19)15-27/h2-9,19-21H,10-17H2,1H3,(H,28,31)(H,29,30)