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

Systemtic Name: S-octyl (NE)-N-[[cyclohexylcarbamoyl(methyl)amino]-(dimethylamino)methylidene]carbamothioate Openeye Name: S-octyl (NE)-N-[[cyclohexylcarbamoyl(methyl)amino]-(dimethylamino)methylene]carbamothioate CAS Name: (NE)-N-[[[(cyclohexylamino)-oxomethyl]-methylamino]-(dimethylamino)methylidene]carbamothioic acid S-octyl ester IUPAC Name: S-octyl (NE)-N-[[cyclohexylcarbamoyl(methyl)amino]-(dimethylamino)methylidene]carbamothioate Traditional Name: (NE)-N-[[cyclohexylcarbamoyl(methyl)amino]-(dimethylamino)methylene]thiocarbamic acid S-octyl ester Formula: C20H38N4O2S MolecularWeight: 398.60632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)N=C(N(C)C)N(C)C(=O)NC1CCCCC1

Isomeric SMILES

CCCCCCCCSC(=O)/N=C(\N(C)C)/N(C)C(=O)NC1CCCCC1

InChI

InChI=1S/C20H38N4O2S/c1-5-6-7-8-9-13-16-27-20(26)22-18(23(2)3)24(4)19(25)21-17-14-11-10-12-15-17/h17H,5-16H2,1-4H3,(H,21,25)/b22-18+