butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzoate Openeye Name: butyl 4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)benzoic acid butyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22N2O5S/c1-2-3-10-28-20(25)14-4-7-16(8-5-14)22-21(29)23-19(24)15-6-9-17-18(13-15)27-12-11-26-17/h4-9,13H,2-3,10-12H2,1H3,(H2,22,23,24,29)