2-[2-[[(2S)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[(2S)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanylbenzoic acid Openeye Name: 2-[5-anilino-2-[[(1S)-1,3-dimethylbutyl]amino]phenyl]sulfanylbenzoic acid CAS Name: 2-[[5-anilino-2-[[(2S)-4-methylpentan-2-yl]amino]phenyl]thio]benzoic acid IUPAC Name: 2-[5-anilino-2-[[(2S)-4-methylpentan-2-yl]amino]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[5-anilino-2-[[(1S)-1,3-dimethylbutyl]amino]phenyl]thio]benzoic acid Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@@H](CC(C)C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H28N2O2S/c1-17(2)15-18(3)26-22-14-13-20(27-19-9-5-4-6-10-19)16-24(22)30-23-12-8-7-11-21(23)25(28)29/h4-14,16-18,26-27H,15H2,1-3H3,(H,28,29)/t18-/m0/s1