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

Systemtic Name: 2-(1-adamantyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]acetamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H27N3O3S2/c1-27-15-6-16(28-2)19-17(7-15)30-21(24-19)25-20(29)23-18(26)11-22-8-12-3-13(9-22)5-14(4-12)10-22/h6-7,12-14H,3-5,8-11H2,1-2H3,(H2,23,24,25,26,29)