2-[[2-[(4-carbamothioylphenyl)carbonylamino]-4-carboxy-phenyl]carbamoyl]terephthalic acid

Systemtic Name: 2-[[2-[(4-carbamothioylphenyl)carbonylamino]-4-carboxy-phenyl]carbamoyl]terephthalic acid Openeye Name: 2-[[2-[(4-carbamothioylbenzoyl)amino]-4-carboxy-phenyl]carbamoyl]terephthalic acid CAS Name: 2-[[2-[[(4-carbamothioylphenyl)-oxomethyl]amino]-4-carboxyanilino]-oxomethyl]terephthalic acid IUPAC Name: 2-[[2-[(4-carbamothioylbenzoyl)amino]-4-carboxyphenyl]carbamoyl]terephthalic acid Traditional Name: 2-[[4-carboxy-2-[(4-thiocarbamoylbenzoyl)amino]phenyl]carbamoyl]terephthalic acid Formula: C24H17N3O8S MolecularWeight: 507.47208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)N)C(=O)NC2=C(C=CC(=C2)C(=O)O)NC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=S)N)C(=O)NC2=C(C=CC(=C2)C(=O)O)NC(=O)C3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C24H17N3O8S/c25-19(36)11-1-3-12(4-2-11)20(28)27-18-10-14(23(32)33)6-8-17(18)26-21(29)16-9-13(22(30)31)5-7-15(16)24(34)35/h1-10H,(H2,25,36)(H,26,29)(H,27,28)(H,30,31)(H,32,33)(H,34,35)