4-[[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-[(3-amino-3-keto-propyl)-benzyl-amino]-2-keto-ethyl]thio]methyl]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=O)CSCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c21-18(23)10-11-22(12-15-4-2-1-3-5-15)19(24)14-27-13-16-6-8-17(9-7-16)20(25)26/h1-9H,10-14H2,(H2,21,23)(H,25,26)