S-methyl (NE)-N-[[cycloheptylcarbamoyl(methyl)amino]-(dimethylamino)methylidene]carbamothioate

Systemtic Name: S-methyl (NE)-N-[[cycloheptylcarbamoyl(methyl)amino]-(dimethylamino)methylidene]carbamothioate Openeye Name: S-methyl (NE)-N-[[cycloheptylcarbamoyl(methyl)amino]-(dimethylamino)methylene]carbamothioate CAS Name: (NE)-N-[[[(cycloheptylamino)-oxomethyl]-methylamino]-(dimethylamino)methylidene]carbamothioic acid S-methyl ester IUPAC Name: S-methyl (NE)-N-[[cycloheptylcarbamoyl(methyl)amino]-(dimethylamino)methylidene]carbamothioate Traditional Name: (NE)-N-[[cycloheptylcarbamoyl(methyl)amino]-(dimethylamino)methylene]thiocarbamic acid S-methyl ester Formula: C14H26N4O2S MolecularWeight: 314.44684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=NC(=O)SC)N(C)C(=O)NC1CCCCCC1

Isomeric SMILES

CN(C)/C(=N\C(=O)SC)/N(C)C(=O)NC1CCCCCC1

InChI

InChI=1S/C14H26N4O2S/c1-17(2)12(16-14(20)21-4)18(3)13(19)15-11-9-7-5-6-8-10-11/h11H,5-10H2,1-4H3,(H,15,19)/b16-12+