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

Systemtic Name: butyl 2-(ethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[acetamido(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(acetylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(acetylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S2/c1-3-4-7-21-13(20)10-5-6-11-12(8-10)23-15(17-11)18-14(22)16-9(2)19/h5-6,8H,3-4,7H2,1-2H3,(H2,16,17,18,19,22)