ethyl 4-[[[2-oxidanyl-3,5-di(propan-2-yl)phenyl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[2-oxidanyl-3,5-di(propan-2-yl)phenyl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2-hydroxy-3,5-diisopropyl-benzoyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-hydroxy-3,5-di(propan-2-yl)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-hydroxy-3,5-di(propan-2-yl)benzoyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[(2-hydroxy-3,5-diisopropyl-benzoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC(=C2O)C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC(=C2O)C(C)C)C(C)C

InChI

InChI=1S/C23H29N3O4S/c1-6-30-22(29)15-7-9-17(10-8-15)24-23(31)26-25-21(28)19-12-16(13(2)3)11-18(14(4)5)20(19)27/h7-14,27H,6H2,1-5H3,(H,25,28)(H2,24,26,31)