ethyl 4-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)C2=CC=C(C=C2)C(C)(C)C

InChI

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