N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanyl-propanamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(3,4-dimethoxyphenyl)thio]propanamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(3,4-dimethoxyphenyl)thio]propionamide Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)SC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)SC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C27H33NO3S/c1-17(32-23-8-9-24(30-2)25(13-23)31-3)26(29)28-22-6-4-21(5-7-22)27-14-18-10-19(15-27)12-20(11-18)16-27/h4-9,13,17-20H,10-12,14-16H2,1-3H3,(H,28,29)