4-[2,5-bis(oxidanylidene)-3-(N'-phenethyl-N-phenyl-carbamimidoyl)sulfanyl-pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3-(N'-phenethyl-N-phenyl-carbamimidoyl)sulfanyl-pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[2,5-dioxo-3-(N'-phenethyl-N-phenyl-carbamimidoyl)sulfanyl-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-[[anilino(phenethylimino)methyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[2,5-dioxo-3-(N'-phenethyl-N-phenylcarbamimidoyl)sulfanylpyrrolidin-1-yl]benzoic acid Traditional Name: 4-[2,5-diketo-3-[(N'-phenethyl-N-phenyl-amidino)thio]pyrrolidino]benzoic acid Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SC(=NCCC3=CC=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)SC(=NCCC3=CC=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c30-23-17-22(24(31)29(23)21-13-11-19(12-14-21)25(32)33)34-26(28-20-9-5-2-6-10-20)27-16-15-18-7-3-1-4-8-18/h1-14,22H,15-17H2,(H,27,28)(H,32,33)