3-azanyl-2-(phenylcarbonylsulfanylmethyl)-4-(3-phenylpropanoyl)benzoic acid

Systemtic Name: 3-azanyl-2-(phenylcarbonylsulfanylmethyl)-4-(3-phenylpropanoyl)benzoic acid Openeye Name: 3-amino-2-(benzoylsulfanylmethyl)-4-(3-phenylpropanoyl)benzoic acid CAS Name: 3-amino-2-[(benzoylthio)methyl]-4-(1-oxo-3-phenylpropyl)benzoic acid IUPAC Name: 3-amino-2-(benzoylsulfanylmethyl)-4-(3-phenylpropanoyl)benzoic acid Traditional Name: 3-amino-2-[(benzoylthio)methyl]-4-hydrocinnamoyl-benzoic acid Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C=C2)C(=O)O)CSC(=O)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C=C2)C(=O)O)CSC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C24H21NO4S/c25-22-19(21(26)14-11-16-7-3-1-4-8-16)13-12-18(23(27)28)20(22)15-30-24(29)17-9-5-2-6-10-17/h1-10,12-13H,11,14-15,25H2,(H,27,28)