ethyl 4-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropylcarbamoylamino]benzoate Openeye Name: ethyl 4-[3-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylpropylcarbamoylamino]benzoate CAS Name: 4-[[[3-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]propylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropylcarbamoylamino]benzoate Traditional Name: 4-[3-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]propylcarbamoylamino]benzoic acid ethyl ester Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCNC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(N=C1SCCCNC(=O)NC2=CC=C(C=C2)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H34N4O3S/c1-3-21-35-28(24-14-9-6-10-15-24)27(23-12-7-5-8-13-23)34-31(35)39-22-11-20-32-30(37)33-26-18-16-25(17-19-26)29(36)38-4-2/h5-10,12-19H,3-4,11,20-22H2,1-2H3,(H2,32,33,37)