ethyl 4-[[(4R)-2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[(4R)-2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(4R)-2-(4-chlorophenyl)imino-4-ethyl-thiazolidine-3-carbothioyl]amino]benzoate CAS Name: 4-[[[(4R)-2-(4-chlorophenyl)imino-4-ethyl-3-thiazolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4R)-2-(4-chlorophenyl)imino-4-ethyl-1,3-thiazolidine-3-carbothioyl]amino]benzoate Traditional Name: 4-[[(4R)-2-(4-chlorophenyl)imino-4-ethyl-thiazolidine-3-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CSC(=NC2=CC=C(C=C2)Cl)N1C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CC[C@@H]1CSC(=NC2=CC=C(C=C2)Cl)N1C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H22ClN3O2S2/c1-3-18-13-29-21(24-17-11-7-15(22)8-12-17)25(18)20(28)23-16-9-5-14(6-10-16)19(26)27-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,28)/t18-/m1/s1