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

Systemtic Name: methyl 3-[[(4-tert-butylphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(4-tert-butylbenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-tert-butylbenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(4-tert-butylbenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)16-10-8-13(9-11-16)18(26)23-24-20(29)22-17(25)14-6-5-7-15(12-14)19(27)28-4/h5-12H,1-4H3,(H,23,26)(H2,22,24,25,29)