ethyl 4-[[3-[(4-ethoxycarbonyl-3-oxidanyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-oxidanyl-benzoate

Systemtic Name: ethyl 4-[[3-[(4-ethoxycarbonyl-3-oxidanyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-oxidanyl-benzoate Openeye Name: ethyl 4-[[3-[(4-ethoxycarbonyl-3-hydroxy-phenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-hydroxy-benzoate CAS Name: 4-[[[3-[[(4-ethoxycarbonyl-3-hydroxyanilino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-ethoxycarbonyl-3-hydroxyphenyl)carbamothioylamino]phenyl]carbamothioylamino]-2-hydroxybenzoate Traditional Name: 4-[[3-[(4-carbethoxy-3-hydroxy-phenyl)thiocarbamoylamino]phenyl]thiocarbamoylamino]-2-hydroxy-benzoic acid ethyl ester Formula: C26H26N4O6S2 MolecularWeight: 554.63784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC2=CC(=CC=C2)NC(=S)NC3=CC(=C(C=C3)C(=O)OCC)O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC2=CC(=CC=C2)NC(=S)NC3=CC(=C(C=C3)C(=O)OCC)O)O

InChI

InChI=1S/C26H26N4O6S2/c1-3-35-23(33)19-10-8-17(13-21(19)31)29-25(37)27-15-6-5-7-16(12-15)28-26(38)30-18-9-11-20(22(32)14-18)24(34)36-4-2/h5-14,31-32H,3-4H2,1-2H3,(H2,27,29,37)(H2,28,30,38)