8-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-(2-anilino-2-oxo-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[(2-anilino-2-oxoethyl)thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-(2-anilino-2-oxoethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-anilino-2-keto-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C26H20N2O4S MolecularWeight: 456.513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C26H20N2O4S/c29-23(27-18-8-2-1-3-9-18)16-33-20-14-12-19(13-15-20)28-25(30)21-10-4-6-17-7-5-11-22(24(17)21)26(31)32/h1-15H,16H2,(H,27,29)(H,28,30)(H,31,32)