ethyl 4-[[propan-2-yl-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[propan-2-yl-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[isopropyl-(2,2,4,4-tetramethylthiochroman-6-yl)carbamothioyl]amino]benzoate CAS Name: 4-[[[propan-2-yl-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[propan-2-yl-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamothioyl]amino]benzoate Traditional Name: 4-[[isopropyl-(2,2,4,4-tetramethylthiochroman-6-yl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C26H34N2O2S2 MolecularWeight: 470.69036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C2=CC3=C(C=C2)SC(CC3(C)C)(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C2=CC3=C(C=C2)SC(CC3(C)C)(C)C)C(C)C

InChI

InChI=1S/C26H34N2O2S2/c1-8-30-23(29)18-9-11-19(12-10-18)27-24(31)28(17(2)3)20-13-14-22-21(15-20)25(4,5)16-26(6,7)32-22/h9-15,17H,8,16H2,1-7H3,(H,27,31)