methyl 3-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C28H28N4O5S/c1-28(2,3)21-12-8-17(9-13-21)23(33)29-22-14-10-18(11-15-22)25(35)31-32-27(38)30-24(34)19-6-5-7-20(16-19)26(36)37-4/h5-16H,1-4H3,(H,29,33)(H,31,35)(H2,30,32,34,38)