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

Systemtic Name: 8-[[3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[oxo-[3-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]anilino]methyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[(2-cumidino-2-keto-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

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