butyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(pivaloylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H23N3O3S2/c1-5-6-9-24-14(22)11-7-8-12-13(10-11)26-17(19-12)21-16(25)20-15(23)18(2,3)4/h7-8,10H,5-6,9H2,1-4H3,(H2,19,20,21,23,25)