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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3OS2/c30-23(15-26-12-16-9-17(13-26)11-18(10-16)14-26)29-25(31)27-20-7-5-19(6-8-20)24-28-21-3-1-2-4-22(21)32-24/h1-8,16-18H,9-15H2,(H2,27,29,30,31)