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

Systemtic Name: 8-[[3-[1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[1-[(4-isopropylphenyl)carbamoyl]propylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[1-(p-cumenylcarbamoyl)propylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C31H30N2O4S MolecularWeight: 526.6459

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(C)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(C)C)SC2=CC=CC(=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C31H30N2O4S/c1-4-27(30(35)32-22-16-14-20(15-17-22)19(2)3)38-24-11-7-10-23(18-24)33-29(34)25-12-5-8-21-9-6-13-26(28(21)25)31(36)37/h5-19,27H,4H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)