butyl 2-(propanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(propanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(propanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(propanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(propionylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-3-5-8-22-14(21)10-6-7-11-12(9-10)24-16(17-11)19-15(23)18-13(20)4-2/h6-7,9H,3-5,8H2,1-2H3,(H2,17,18,19,20,23)