3-[[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C30H25N3O4S2 MolecularWeight: 555.6672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C30H25N3O4S2/c1-19(34)20-13-15-23(16-14-20)32-30(38)33-25-11-6-12-26(18-25)39-27(21-7-3-2-4-8-21)28(35)31-24-10-5-9-22(17-24)29(36)37/h2-18,27H,1H3,(H,31,35)(H,36,37)(H2,32,33,38)