ethyl 4-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C26H25N3O4S2/c1-3-33-25(32)19-9-13-20(14-10-19)27-24(31)16-35-23-6-4-5-22(15-23)29-26(34)28-21-11-7-18(8-12-21)17(2)30/h4-15H,3,16H2,1-2H3,(H,27,31)(H2,28,29,34)