4-[[3-[(4-aminocarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[3-[(4-aminocarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-(4-carbamoylanilino)-3-oxo-propyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-(4-carbamoylanilino)-3-oxopropyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-(4-carbamoylanilino)-3-oxopropyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-(4-carbamoylanilino)-3-keto-propyl]thio]methyl]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCCC(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)O

InChI

InChI=1S/C18H18N2O4S/c19-17(22)13-5-7-15(8-6-13)20-16(21)9-10-25-11-12-1-3-14(4-2-12)18(23)24/h1-8H,9-11H2,(H2,19,22)(H,20,21)(H,23,24)