methyl 2-(diethylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(diethylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(diethylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[diethylamino(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(diethylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(diethylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(CC)C(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H17N3O2S2/c1-4-17(5-2)14(20)16-13-15-10-7-6-9(12(18)19-3)8-11(10)21-13/h6-8H,4-5H2,1-3H3,(H,15,16,20)