methyl 2-(tert-butylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(tert-butylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(tert-butylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(tert-butylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(tert-butylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S2/c1-14(2,3)17-12(20)16-13-15-9-6-5-8(11(18)19-4)7-10(9)21-13/h5-7H,1-4H3,(H2,15,16,17,20)