methyl 2-chloranyl-5-(dimethylaminocarbamothioylamino)benzoate

Systemtic Name: methyl 2-chloranyl-5-(dimethylaminocarbamothioylamino)benzoate Openeye Name: methyl 2-chloro-5-(dimethylaminocarbamothioylamino)benzoate CAS Name: 2-chloro-5-[[(2,2-dimethylhydrazinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-(dimethylaminocarbamothioylamino)benzoate Traditional Name: 2-chloro-5-(dimethylaminothiocarbamoylamino)benzoic acid methyl ester Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC

Isomeric SMILES

CN(C)NC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC

InChI

InChI=1S/C11H14ClN3O2S/c1-15(2)14-11(18)13-7-4-5-9(12)8(6-7)10(16)17-3/h4-6H,1-3H3,(H2,13,14,18)