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

Systemtic Name: methyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(isovalerylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S2/c1-8(2)6-12(19)17-14(22)18-15-16-10-5-4-9(13(20)21-3)7-11(10)23-15/h4-5,7-8H,6H2,1-3H3,(H2,16,17,18,19,22)