ethyl 4-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H28N2O2S/c1-5-15(3)17-7-9-18(10-8-17)16(4)23-22(27)24-20-13-11-19(12-14-20)21(25)26-6-2/h7-16H,5-6H2,1-4H3,(H2,23,24,27)