methyl 4-[[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(1,3-benzodioxol-5-yloxy)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(1,3-benzodioxol-5-yloxy)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzodioxol-5-yloxy)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(1,3-benzodioxol-5-yloxy)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5S/c1-25-20(24)14-2-4-15(5-3-14)22-21(29)23-10-8-16(9-11-23)28-17-6-7-18-19(12-17)27-13-26-18/h2-7,12,16H,8-11,13H2,1H3,(H,22,29)