propan-2-yl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]benzoic acid isopropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O4S/c1-15(2)28-21(26)17-8-10-18(11-9-17)23-22(29)24-20(25)5-4-14-27-19-12-6-16(3)7-13-19/h6-13,15H,4-5,14H2,1-3H3,(H2,23,24,25,29)