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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-aminocarbonylphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(3-carbamoylphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3-carbamoylphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3-carbamoylphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(3-carbamoylphenyl)benzamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c27-24(31)19-4-3-5-20(11-19)28-25(32)21-6-1-2-7-22(21)33-15-23(30)29-26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18H,8-10,12-15H2,(H2,27,31)(H,28,32)(H,29,30)