methyl 4-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(2-isopentyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(2-isoamoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-14(2)12-13-27-18-7-5-4-6-17(18)19(24)23-21(28)22-16-10-8-15(9-11-16)20(25)26-3/h4-11,14H,12-13H2,1-3H3,(H2,22,23,24,28)