methyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: methyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-14-8-10-17(11-9-14)26-12-4-7-18(23)22-20(27)21-16-6-3-5-15(13-16)19(24)25-2/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H2,21,22,23,27)