S-methyl N-[[4-[(methylsulfanylcarbonylamino)methyl]phenyl]methyl]carbamothioate

Systemtic Name: S-methyl N-[[4-[(methylsulfanylcarbonylamino)methyl]phenyl]methyl]carbamothioate Openeye Name: S-methyl N-[[4-[(methylsulfanylcarbonylamino)methyl]phenyl]methyl]carbamothioate CAS Name: N-[[4-[[[(methylthio)-oxomethyl]amino]methyl]phenyl]methyl]carbamothioic acid S-methyl ester IUPAC Name: S-methyl N-[[4-[(methylsulfanylcarbonylamino)methyl]phenyl]methyl]carbamothioate Traditional Name: N-[4-[[(methylthio)carbonylamino]methyl]benzyl]thiocarbamic acid S-methyl ester Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)NCC1=CC=C(C=C1)CNC(=O)SC

Isomeric SMILES

CSC(=O)NCC1=CC=C(C=C1)CNC(=O)SC

InChI

InChI=1S/C12H16N2O2S2/c1-17-11(15)13-7-9-3-5-10(6-4-9)8-14-12(16)18-2/h3-6H,7-8H2,1-2H3,(H,13,15)(H,14,16)