2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(2S)-butan-2-yl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(2S)-butan-2-yl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[(1S)-1-methylpropyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[(2S)-butan-2-yl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[(2S)-butan-2-yl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[(1S)-1-methylpropyl]benzamide Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC=CC=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O2S/c1-3-15(2)24-22(27)19-6-4-5-7-20(19)28-14-21(26)25-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,24,27)(H,25,26)/t15-,16?,17?,18?,23?/m0/s1