4-chloranyl-3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[4-(phenylcarbamoylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[anilino(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 4-chloro-3-[[2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-(phenylcarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C22H18ClN3O4S/c23-18-11-6-14(21(28)29)12-19(18)26-20(27)13-31-17-9-7-16(8-10-17)25-22(30)24-15-4-2-1-3-5-15/h1-12H,13H2,(H,26,27)(H,28,29)(H2,24,25,30)