ethyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-sec-butylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-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=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

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

InChI

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