butyl 4-[(3-methyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-methyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3-methylbenzofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-methylbenzofuran-2-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C22H22N2O4S/c1-3-4-13-27-21(26)15-9-11-16(12-10-15)23-22(29)24-20(25)19-14(2)17-7-5-6-8-18(17)28-19/h5-12H,3-4,13H2,1-2H3,(H2,23,24,25,29)