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

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-propoxyphenyl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(2-propoxyphenyl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(2-propoxyphenyl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-propoxyphenyl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(2-propoxyphenyl)benzamide Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34N2O3S/c1-2-11-33-24-9-5-4-8-23(24)29-27(32)22-7-3-6-10-25(22)34-18-26(31)30-28-15-19-12-20(16-28)14-21(13-19)17-28/h3-10,19-21H,2,11-18H2,1H3,(H,29,32)(H,30,31)