ethyl 4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-5-26-19(25)15-8-12-17(13-9-15)22-20(27)23-18(24)14-6-10-16(11-7-14)21(2,3)4/h6-13H,5H2,1-4H3,(H2,22,23,24,27)