ethyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isovalerylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-4-22-14(21)10-5-6-11-12(8-10)24-16(17-11)19-15(23)18-13(20)7-9(2)3/h5-6,8-9H,4,7H2,1-3H3,(H2,17,18,19,20,23)