ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-5-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-5-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-isochroman-5-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(6-methoxy-1,1,4,4-tetramethyl-3,4-dihydro-1H-2-benzopyran-5-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methoxy-1,1,4,4-tetramethyl-3H-isochromen-5-yl)carbamothioylamino]benzoate Traditional Name: 4-[(6-methoxy-1,1,4,4-tetramethyl-isochroman-5-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=CC3=C2C(COC3(C)C)(C)C)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC3=C2C(COC3(C)C)(C)C)OC

InChI

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