propan-2-yl 2-oxidanyl-4-[[4-[(3-oxidanyl-4-propan-2-yloxycarbonyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate

Systemtic Name: propan-2-yl 2-oxidanyl-4-[[4-[(3-oxidanyl-4-propan-2-yloxycarbonyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate Openeye Name: isopropyl 2-hydroxy-4-[[4-[(3-hydroxy-4-isopropoxycarbonyl-phenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate CAS Name: 2-hydroxy-4-[[[4-[[[3-hydroxy-4-[oxo(propan-2-yloxy)methyl]anilino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-hydroxy-4-[[4-[(3-hydroxy-4-propan-2-yloxycarbonylphenyl)carbamothioylamino]phenyl]carbamothioylamino]benzoate Traditional Name: 2-hydroxy-4-[[4-[(3-hydroxy-4-isopropoxycarbonyl-phenyl)thiocarbamoylamino]phenyl]thiocarbamoylamino]benzoic acid isopropyl ester Formula: C28H30N4O6S2 MolecularWeight: 582.691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O6S2/c1-15(2)37-25(35)21-11-9-19(13-23(21)33)31-27(39)29-17-5-7-18(8-6-17)30-28(40)32-20-10-12-22(24(34)14-20)26(36)38-16(3)4/h5-16,33-34H,1-4H3,(H2,29,31,39)(H2,30,32,40)