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

Systemtic Name: methyl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-13(2)18-10-9-17(11-14(18)3)27-12-19(24)23-21(28)22-16-7-5-15(6-8-16)20(25)26-4/h5-11,13H,12H2,1-4H3,(H2,22,23,24,28)