ethyl 4-[(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2,2,4,4-tetramethylthiochroman-8-yl)carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[(2,2,4,4-tetramethyl-3H-1-benzothiopyran-8-yl)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2,2,4,4-tetramethylthiochroman-8-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H28N2O2S2 MolecularWeight: 428.61062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2SC(CC3(C)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2SC(CC3(C)C)(C)C

InChI

InChI=1S/C23H28N2O2S2/c1-6-27-20(26)15-10-12-16(13-11-15)24-21(28)25-18-9-7-8-17-19(18)29-23(4,5)14-22(17,2)3/h7-13H,6,14H2,1-5H3,(H2,24,25,28)