ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-isochroman-7-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(6-methoxy-1,1,4,4-tetramethyl-3,4-dihydro-1H-2-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 4-[(6-methoxy-1,1,4,4-tetramethyl-isochroman-7-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C3C(=C2)C(OCC3(C)C)(C)C)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C3C(=C2)C(OCC3(C)C)(C)C)OC

InChI

InChI=1S/C24H30N2O4S/c1-7-29-21(27)15-8-10-16(11-9-15)25-22(31)26-19-12-18-17(13-20(19)28-6)23(2,3)14-30-24(18,4)5/h8-13H,7,14H2,1-6H3,(H2,25,26,31)