methyl 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 3-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O3S/c1-20(2,3)15-10-8-13(9-11-15)17(23)22-19(26)21-16-7-5-6-14(12-16)18(24)25-4/h5-12H,1-4H3,(H2,21,22,23,26)