pentyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: pentyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: pentyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]benzoic acid amyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C

InChI

InChI=1S/C24H30N2O4S/c1-3-4-5-16-30-23(28)19-10-12-20(13-11-19)25-24(31)26-22(27)7-6-17-29-21-14-8-18(2)9-15-21/h8-15H,3-7,16-17H2,1-2H3,(H2,25,26,27,31)