S-[3-aminocarbonylsulfanyl-2-(dimethylamino)propyl] carbamothioate; carbamothioic S-acid

Systemtic Name: S-[3-aminocarbonylsulfanyl-2-(dimethylamino)propyl] carbamothioate; carbamothioic S-acid Openeye Name: carbamothioic S-acid; S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate CAS Name: carbamothioic S-acid; carbamothioic acid S-[3-(carbamoylthio)-2-(dimethylamino)propyl] ester IUPAC Name: carbamothioic S-acid; S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate Traditional Name: thiocarbamic S-acid; thiocarbamic acid S-[3-(carbamoylthio)-2-(dimethylamino)propyl] ester Formula: C8H18N4O3S3 MolecularWeight: 314.44852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CSC(=O)N)CSC(=O)N.C(=O)(N)S

Isomeric SMILES

CN(C)C(CSC(=O)N)CSC(=O)N.C(=O)(N)S

InChI

InChI=1S/C7H15N3O2S2.CH3NOS/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;2-1(3)4/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);(H3,2,3,4)