2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-indan-5-yl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-indan-5-yl-benzamide Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2O2S/c31-26(30-28-14-18-10-19(15-28)12-20(11-18)16-28)17-33-25-7-2-1-6-24(25)27(32)29-23-9-8-21-4-3-5-22(21)13-23/h1-2,6-9,13,18-20H,3-5,10-12,14-17H2,(H,29,32)(H,30,31)