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

Systemtic Name: 2-(1-adamantyl)-N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]acetamide Formula: C26H26IN3OS2 MolecularWeight: 587.53861

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4)I)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4)I)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H26IN3OS2/c27-18-5-6-20(19(10-18)24-28-21-3-1-2-4-22(21)33-24)29-25(32)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,(H2,29,30,31,32)