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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-phenoxyphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-phenoxyphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-phenoxyphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-phenoxyphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-phenoxyphenyl)benzamide Formula: C31H32N2O3S MolecularWeight: 512.66238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H32N2O3S/c34-29(33-31-17-21-14-22(18-31)16-23(15-21)19-31)20-37-28-9-5-4-8-27(28)30(35)32-24-10-12-26(13-11-24)36-25-6-2-1-3-7-25/h1-13,21-23H,14-20H2,(H,32,35)(H,33,34)