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

Systemtic Name: ethyl 4-[[2-(4-ethoxyphenyl)imino-1,3-thiazolidin-3-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-ethoxyphenyl)iminothiazolidine-3-carbothioyl]amino]benzoate CAS Name: 4-[[[2-(4-ethoxyphenyl)imino-3-thiazolidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxyphenyl)imino-1,3-thiazolidine-3-carbothioyl]amino]benzoate Traditional Name: 4-[(2-p-phenetyliminothiazolidine-3-carbothioyl)amino]benzoic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C2N(CCS2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C2N(CCS2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H23N3O3S2/c1-3-26-18-11-9-17(10-12-18)23-21-24(13-14-29-21)20(28)22-16-7-5-15(6-8-16)19(25)27-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,22,28)