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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[(1R)-1-phenylethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[(1R)-1-phenylethyl]benzamide Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O2S/c1-18(22-7-3-2-4-8-22)28-26(31)23-9-5-6-10-24(23)32-17-25(30)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h2-10,18-21H,11-17H2,1H3,(H,28,31)(H,29,30)/t18-,19?,20?,21?,27?/m1/s1