propan-2-yl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 2-(2,2-dimethylpropanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(pivaloylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C(C)(C)C

InChI

InChI=1S/C17H21N3O3S2/c1-9(2)23-13(21)10-6-7-11-12(8-10)25-16(18-11)20-15(24)19-14(22)17(3,4)5/h6-9H,1-5H3,(H2,18,19,20,22,24)