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

Systemtic Name: ethyl 4-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[1-(4-isopropylphenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[1-(4-propan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-propan-2-ylphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-(1-p-cumenylethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-5-25-20(24)18-10-12-19(13-11-18)23-21(26)22-15(4)17-8-6-16(7-9-17)14(2)3/h6-15H,5H2,1-4H3,(H2,22,23,26)