2-(1-adamantyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C28H31N3O2S MolecularWeight: 473.62964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H31N3O2S/c1-16-6-23-24(7-17(16)2)33-26(30-23)21-4-3-5-22(11-21)29-27(34)31-25(32)15-28-12-18-8-19(13-28)10-20(9-18)14-28/h3-7,11,18-20H,8-10,12-15H2,1-2H3,(H2,29,31,32,34)