2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-tetralin-1-yl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-tetralin-1-yl-benzamide Formula: C29H34N2O2S MolecularWeight: 474.65746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H34N2O2S/c32-27(31-29-15-19-12-20(16-29)14-21(13-19)17-29)18-34-26-11-4-3-9-24(26)28(33)30-25-10-5-7-22-6-1-2-8-23(22)25/h1-4,6,8-9,11,19-21,25H,5,7,10,12-18H2,(H,30,33)(H,31,32)