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

Systemtic Name: 8-[[4-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H23N3O5S MolecularWeight: 513.56432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CC(=O)NC1=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/C28H23N3O5S/c1-17(32)29-19-8-10-20(11-9-19)30-25(33)16-37-22-14-12-21(13-15-22)31-27(34)23-6-2-4-18-5-3-7-24(26(18)23)28(35)36/h2-15H,16H2,1H3,(H,29,32)(H,30,33)(H,31,34)(H,35,36)