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

Systemtic Name: 8-[[4-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(2-carbamoylanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(2-carbamoylanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(2-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(2-carbamoylanilino)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21N3O5S/c28-25(32)19-7-1-2-10-22(19)30-23(31)15-36-18-13-11-17(12-14-18)29-26(33)20-8-3-5-16-6-4-9-21(24(16)20)27(34)35/h1-14H,15H2,(H2,28,32)(H,29,33)(H,30,31)(H,34,35)