methyl 4-[(methylcarbamothioylamino)methyl]benzoate

Systemtic Name: methyl 4-[(methylcarbamothioylamino)methyl]benzoate Openeye Name: methyl 4-[(methylcarbamothioylamino)methyl]benzoate CAS Name: 4-[[[methylamino(sulfanylidene)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(methylcarbamothioylamino)methyl]benzoate Traditional Name: 4-[(methylthiocarbamoylamino)methyl]benzoic acid methyl ester Formula: C11H14N2O2S MolecularWeight: 238.30606

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CNC(=S)NCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C11H14N2O2S/c1-12-11(16)13-7-8-3-5-9(6-4-8)10(14)15-2/h3-6H,7H2,1-2H3,(H2,12,13,16)