N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(6-mesyl-1,3-benzothiazol-2-yl)thiocarbamoyl]adamantane-1-carboxamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H23N3O3S3/c1-29(25,26)14-2-3-15-16(7-14)28-19(21-15)23-18(27)22-17(24)20-8-11-4-12(9-20)6-13(5-11)10-20/h2-3,7,11-13H,4-6,8-10H2,1H3,(H2,21,22,23,24,27)