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

Systemtic Name: 8-[[4-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(2-cumidino-2-keto-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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(C)C1=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/C29H26N2O4S/c1-18(2)19-9-11-21(12-10-19)30-26(32)17-36-23-15-13-22(14-16-23)31-28(33)24-7-3-5-20-6-4-8-25(27(20)24)29(34)35/h3-16,18H,17H2,1-2H3,(H,30,32)(H,31,33)(H,34,35)