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

Systemtic Name: butyl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C24H30N2O4S/c1-5-6-13-29-23(28)18-7-9-19(10-8-18)25-24(31)26-22(27)15-30-20-11-12-21(16(2)3)17(4)14-20/h7-12,14,16H,5-6,13,15H2,1-4H3,(H2,25,26,27,31)