S-[(4-chlorophenyl)methyl] carbamothioate; N-methylmethanamine; carbamothioate

Systemtic Name: S-[(4-chlorophenyl)methyl] carbamothioate; N-methylmethanamine; carbamothioate Openeye Name: S-[(4-chlorophenyl)methyl] carbamothioate; N-methylmethanamine; carbamothioate CAS Name: carbamothioic acid S-[(4-chlorophenyl)methyl] ester; N-methylmethanamine; carbamothioate IUPAC Name: S-[(4-chlorophenyl)methyl] carbamothioate; N-methylmethanamine; carbamothioate Traditional Name: dimethylamine; thiocarbamic acid S-(4-chlorobenzyl) ester; thiocarbamate Formula: C11H17ClN3O2S2- MolecularWeight: 322.85458

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1=CC(=CC=C1CSC(=O)N)Cl.C(=S)(N)[O-]

Isomeric SMILES

CNC.C1=CC(=CC=C1CSC(=O)N)Cl.C(=S)(N)[O-]

InChI

InChI=1S/C8H8ClNOS.C2H7N.CH3NOS/c9-7-3-1-6(2-4-7)5-12-8(10)11;1-3-2;2-1(3)4/h1-4H,5H2,(H2,10,11);3H,1-2H3;(H3,2,3,4)/p-1