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

Systemtic Name: methyl 4-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4S/c1-27(2,3)20-14-12-18(13-15-20)23(31)28-21-6-5-7-22(16-21)29-26(35)30-24(32)17-8-10-19(11-9-17)25(33)34-4/h5-16H,1-4H3,(H,28,31)(H2,29,30,32,35)