N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-(1-adamantyl)ethanamide

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-(1-adamantyl)ethanamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-(1-adamantyl)acetamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(1-adamantyl)acetamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-(1-adamantyl)acetamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(1-adamantyl)acetamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N4O2S2/c1-12(27)23-16-2-3-17-18(7-16)30-21(24-17)26-20(29)25-19(28)11-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15H,4-6,8-11H2,1H3,(H,23,27)(H2,24,25,26,28,29)