2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-butyl-N-phenyl-benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-butyl-N-phenyl-benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-butyl-N-phenyl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-butyl-N-phenylbenzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-butyl-N-phenylbenzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-butyl-N-phenyl-benzamide Formula: C29H36N2O2S MolecularWeight: 476.67334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O2S/c1-2-3-13-31(24-9-5-4-6-10-24)28(33)25-11-7-8-12-26(25)34-20-27(32)30-29-17-21-14-22(18-29)16-23(15-21)19-29/h4-12,21-23H,2-3,13-20H2,1H3,(H,30,32)