2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dichlorophenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dichlorophenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(3,4-dichlorophenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3,4-dichlorophenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(3,4-dichlorophenyl)benzamide Formula: C25H26Cl2N2O2S MolecularWeight: 489.45714

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H26Cl2N2O2S/c26-20-6-5-18(10-21(20)27)28-24(31)19-3-1-2-4-22(19)32-14-23(30)29-25-11-15-7-16(12-25)9-17(8-15)13-25/h1-6,10,15-17H,7-9,11-14H2,(H,28,31)(H,29,30)