cyclohexyl 4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: cyclohexyl 4-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: cyclohexyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(1,3-benzodioxole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(piperonyloylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O5S/c25-20(15-8-11-18-19(12-15)28-13-27-18)24-22(30)23-16-9-6-14(7-10-16)21(26)29-17-4-2-1-3-5-17/h6-12,17H,1-5,13H2,(H2,23,24,25,30)