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

Systemtic Name: cyclohexyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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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)OC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C25H30N2O4S/c1-18-9-15-21(16-10-18)30-17-5-8-23(28)27-25(32)26-20-13-11-19(12-14-20)24(29)31-22-6-3-2-4-7-22/h9-16,22H,2-8,17H2,1H3,(H2,26,27,28,32)