2-[[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[3-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H25N3O4S/c30-24(29-15-13-28(14-16-29)20-8-2-1-3-9-20)18-34-21-10-6-7-19(17-21)27-25(31)22-11-4-5-12-23(22)26(32)33/h1-12,17H,13-16,18H2,(H,27,31)(H,32,33)