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

Systemtic Name: methyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[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=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-14-5-11-17(12-6-14)26-13-3-4-18(23)22-20(27)21-16-9-7-15(8-10-16)19(24)25-2/h5-12H,3-4,13H2,1-2H3,(H2,21,22,23,27)