4-methyl-3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[[4-[[anilino(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 4-methyl-3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[4-(phenylcarbamoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O4S/c1-15-8-9-17(23(29)30)14-21(15)27-22(28)16(2)32-20-12-10-19(11-13-20)26-24(31)25-18-6-4-3-5-7-18/h3-14,16H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)