8-[[3-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(4-acetylanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(4-acetylanilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H22N2O5S MolecularWeight: 498.54968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O5S/c1-17(31)18-11-13-20(14-12-18)29-25(32)16-36-22-8-4-7-21(15-22)30-27(33)23-9-2-5-19-6-3-10-24(26(19)23)28(34)35/h2-15H,16H2,1H3,(H,29,32)(H,30,33)(H,34,35)