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

Systemtic Name: methyl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(butyrylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S2/c1-3-4-11(18)16-13(21)17-14-15-9-6-5-8(12(19)20-2)7-10(9)22-14/h5-7H,3-4H2,1-2H3,(H2,15,16,17,18,21)