2-(1-adamantyl)-N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C28H30ClN3O2S MolecularWeight: 508.0747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C28H30ClN3O2S/c1-2-16-3-6-24-23(10-16)31-26(34-24)21-11-20(4-5-22(21)29)30-27(35)32-25(33)15-28-12-17-7-18(13-28)9-19(8-17)14-28/h3-6,10-11,17-19H,2,7-9,12-15H2,1H3,(H2,30,32,33,35)