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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-ethoxyphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2-ethoxyphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(2-ethoxyphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-o-phenetyl-benzamide Formula: C27H32N2O3S MolecularWeight: 464.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O3S/c1-2-32-23-9-5-4-8-22(23)28-26(31)21-7-3-6-10-24(21)33-17-25(30)29-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,2,11-17H2,1H3,(H,28,31)(H,29,30)