ethyl 4-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S2/c1-3-31-24(30)18-9-11-20(12-10-18)26-23(29)17(2)33-22-15-13-21(14-16-22)28-25(32)27-19-7-5-4-6-8-19/h4-17H,3H2,1-2H3,(H,26,29)(H2,27,28,32)