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

Systemtic Name: propan-2-yl 2-(propanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(propanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(propanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(propionylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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