butyl 4-[[methyl-[2-(2-methylphenoxy)ethanoyl]carbamothioyl]amino]benzoate

Systemtic Name: butyl 4-[[methyl-[2-(2-methylphenoxy)ethanoyl]carbamothioyl]amino]benzoate Openeye Name: butyl 4-[[methyl-[2-(2-methylphenoxy)acetyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[methyl-[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[methyl-[2-(2-methylphenoxy)acetyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[methyl-[2-(2-methylphenoxy)acetyl]thiocarbamoyl]amino]benzoic acid butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)C(=O)COC2=CC=CC=C2C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)C(=O)COC2=CC=CC=C2C

InChI

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