propan-2-yl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid isopropyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-14(2)20-11-10-19(12-16(20)5)28-13-21(26)25-23(30)24-18-8-6-17(7-9-18)22(27)29-15(3)4/h6-12,14-15H,13H2,1-5H3,(H2,24,25,26,30)