2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-[2-(4-methoxyphenyl)ethyl]benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-[2-(4-methoxyphenyl)ethyl]benzamide Formula: C28H34N2O3S MolecularWeight: 478.64616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3S/c1-33-23-8-6-19(7-9-23)10-11-29-27(32)24-4-2-3-5-25(24)34-18-26(31)30-28-15-20-12-21(16-28)14-22(13-20)17-28/h2-9,20-22H,10-18H2,1H3,(H,29,32)(H,30,31)