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

Systemtic Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]acetamide Formula: C26H26ClN3O2S MolecularWeight: 480.02154

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)Cl)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)Cl)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C26H26ClN3O2S/c27-20-6-5-18(10-19(20)24-29-21-3-1-2-4-22(21)32-24)28-25(33)30-23(31)14-26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17H,7-9,11-14H2,(H2,28,30,31,33)