8-[[3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(4-phenoxyphenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[1-oxo-1-(4-phenoxyanilino)butan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-oxo-1-(4-phenoxyanilino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-[(4-phenoxyphenyl)carbamoyl]propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C34H28N2O5S MolecularWeight: 576.66152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C34H28N2O5S/c1-2-30(33(38)35-23-17-19-26(20-18-23)41-25-12-4-3-5-13-25)42-27-14-8-11-24(21-27)36-32(37)28-15-6-9-22-10-7-16-29(31(22)28)34(39)40/h3-21,30H,2H2,1H3,(H,35,38)(H,36,37)(H,39,40)