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

Systemtic Name: propan-2-yl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isovalerylthiocarbamoylamino)-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)CC(=O)NC(=S)NC1=NC2=C(S1)C=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S2/c1-9(2)7-14(21)19-16(24)20-17-18-12-6-5-11(8-13(12)25-17)15(22)23-10(3)4/h5-6,8-10H,7H2,1-4H3,(H2,18,19,20,21,24)