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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-cyanophenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4-cyanophenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4-cyanophenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4-cyanophenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4-cyanophenyl)benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H27N3O2S/c27-15-17-5-7-21(8-6-17)28-25(31)22-3-1-2-4-23(22)32-16-24(30)29-26-12-18-9-19(13-26)11-20(10-18)14-26/h1-8,18-20H,9-14,16H2,(H,28,31)(H,29,30)