2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(methylcarbamoyl)phenyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(methylcarbamoyl)phenyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[3-(methylcarbamoyl)phenyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[3-(methylcarbamoyl)phenyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[3-(methylcarbamoyl)phenyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[3-(methylcarbamoyl)phenyl]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3S/c1-28-25(32)20-5-4-6-21(12-20)29-26(33)22-7-2-3-8-23(22)34-16-24(31)30-27-13-17-9-18(14-27)11-19(10-17)15-27/h2-8,12,17-19H,9-11,13-16H2,1H3,(H,28,32)(H,29,33)(H,30,31)