O4-tert-butyl O1-methyl 2-[[3-[(4-carbamothioylphenyl)carbonylamino]phenyl]carbonylamino]butanedioate

Systemtic Name: O4-tert-butyl O1-methyl 2-[[3-[(4-carbamothioylphenyl)carbonylamino]phenyl]carbonylamino]butanedioate Openeye Name: O4-tert-butyl O1-methyl 2-[[3-[(4-carbamothioylbenzoyl)amino]benzoyl]amino]butanedioate CAS Name: 2-[[[3-[[(4-carbamothioylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]butanedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl 2-[[3-[(4-carbamothioylbenzoyl)amino]benzoyl]amino]butanedioate Traditional Name: 2-[[3-[(4-thiocarbamoylbenzoyl)amino]benzoyl]amino]succinic acid O4-tert-butyl ester O1-methyl ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6S/c1-24(2,3)33-19(28)13-18(23(31)32-4)27-22(30)16-6-5-7-17(12-16)26-21(29)15-10-8-14(9-11-15)20(25)34/h5-12,18H,13H2,1-4H3,(H2,25,34)(H,26,29)(H,27,30)