4-[(3-azanyl-4-cyano-5-phenylazanyl-thiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(3-azanyl-4-cyano-5-phenylazanyl-thiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(3-amino-5-anilino-4-cyano-thiophene-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(3-amino-5-anilino-4-cyano-2-thiophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(3-amino-5-anilino-4-cyanothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(3-amino-5-anilino-4-cyano-thiophene-2-carbonyl)amino]benzoic acid Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C#N

InChI

InChI=1S/C19H14N4O3S/c20-10-14-15(21)16(27-18(14)23-12-4-2-1-3-5-12)17(24)22-13-8-6-11(7-9-13)19(25)26/h1-9,23H,21H2,(H,22,24)(H,25,26)