propan-2-yl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(butanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(butyrylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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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(C)C

Isomeric SMILES

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

InChI

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