ethyl 4-[(2-butan-2-ylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-butan-2-ylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-sec-butylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-butan-2-ylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-sec-butylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O2S/c1-4-14(3)17-8-6-7-9-18(17)22-20(25)21-16-12-10-15(11-13-16)19(23)24-5-2/h6-14H,4-5H2,1-3H3,(H2,21,22,25)