4-[[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-(3,3-diphenylpropylamino)-2-oxo-ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-(3,3-diphenylpropylamino)-2-oxoethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-(3,3-diphenylpropylamino)-2-oxoethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-(3,3-diphenylpropylamino)-2-keto-ethyl]thio]methyl]benzoic acid Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)CSCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)CSCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO3S/c27-24(18-30-17-19-11-13-22(14-12-19)25(28)29)26-16-15-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,26,27)(H,28,29)