2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(4,5-dimethylthiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(4,5-dimethyl-2-thiazolyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(4,5-dimethylthiazol-2-yl)benzamide Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H29N3O2S2/c1-14-15(2)31-23(25-14)26-22(29)19-5-3-4-6-20(19)30-13-21(28)27-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,16-18H,7-13H2,1-2H3,(H,27,28)(H,25,26,29)