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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dimethoxyphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(3,4-dimethoxyphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3,4-dimethoxyphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(3,4-dimethoxyphenyl)benzamide Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4S/c1-32-22-8-7-20(12-23(22)33-2)28-26(31)21-5-3-4-6-24(21)34-16-25(30)29-27-13-17-9-18(14-27)11-19(10-17)15-27/h3-8,12,17-19H,9-11,13-16H2,1-2H3,(H,28,31)(H,29,30)