2-(1-adamantyl)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H27N3OS2/c1-12-3-13(2)19-17(4-12)28-21(24-19)25-20(27)23-18(26)11-22-8-14-5-15(9-22)7-16(6-14)10-22/h3-4,14-16H,5-11H2,1-2H3,(H2,23,24,25,26,27)