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

Systemtic Name: propan-2-yl 2-(2-phenoxyethanoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-phenoxyacetyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-phenoxyacetyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S2/c1-12(2)27-18(25)13-8-9-15-16(10-13)29-20(21-15)23-19(28)22-17(24)11-26-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,22,23,24,28)