2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(5-chloro-2-methoxy-phenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(5-chloro-2-methoxyphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(5-chloro-2-methoxyphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(5-chloro-2-methoxy-phenyl)benzamide Formula: C26H29ClN2O3S MolecularWeight: 485.03806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29ClN2O3S/c1-32-22-7-6-19(27)11-21(22)28-25(31)20-4-2-3-5-23(20)33-15-24(30)29-26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,28,31)(H,29,30)